reaction_smiles reaction_hash classification ring_breaker stereo_bucket flipped_stereo retro_template template_hash [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH:6]([OH:7])[CH2:8][CH2:9][C@H:10]1[CH2:11][CH2:12][C:13](=[O:14])[C@@H:15]1[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][C:22](=[O:23])[OH:24]>C1CC2CCCC3CCCC(C1)B23.C1CCOC1.CCOCC.Cl.OO.[Li].[Na+].O>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH:6]([OH:7])[CH2:8][CH2:9][C@H:10]1[CH2:11][CH2:12][C@H:13]([OH:14])[C@@H:15]1[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][C:22](=[O:23])[OH:24] POFQOMOFTOFTNO-PXKIYYGHSA-N>>IXMRVDPNBMQSIW-GWAVRBHSSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][CH2:2][C@:3]12[CH2:4][CH:5]=[C:6]3[c:7]4[c:8]([cH:9][c:10]([O:11][CH3:12])[cH:13][cH:14]4)[CH2:15][CH2:16][C@H:17]3[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[O:22][C:23]([CH3:24])([CH3:25])[CH3:26]>CCOC(C)=O.[H][H].[Pd]>[CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C@@H:6]3[c:7]4[c:8]([cH:9][c:10]([O:11][CH3:12])[cH:13][cH:14]4)[CH2:15][CH2:16][C@H:17]3[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[O:22][C:23]([CH3:24])([CH3:25])[CH3:26] KKGCUWYTNMQNPI-VCHRRKICSA-N>>RPUZXOXBOJCLAD-NTYLBUJVSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[c:3])-[CH2;D2;+0:4]-[C:5]>>[C:1]-[C;H0;D3;+0:2](-[c:3])=[CH;D2;+0:4]-[C:5] 2db666334a8ad7e273f0d120c9bd029d99d5e603236cdbe1286481909795cff7 [CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[C:6]4=[C:12]([CH2:11][C:9](=[O:10])[CH2:8][CH2:7]4)[CH2:13][CH2:14][C@H:15]3[C@@H:16]1[CH2:17][CH2:18][C:19]21[CH2:20][CH:21]([OH:22])[CH2:23][O:24]1>CO.Cl.O>[CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[C@H:6]4[CH2:7][CH2:8][C:9](=[O:10])[CH:11]=[C:12]4[CH2:13][CH2:14][C@H:15]3[C@@H:16]1[CH2:17][CH2:18][C:19]21[CH2:20][CH:21]([OH:22])[CH2:23][O:24]1 DAZSNQPKRYWHEM-KMKUSVCUSA-N>>JOFNZXWWAHKGAD-TUUWISTFSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C;H0;D3;+0:2](=[CH;D2;+0:3]-[C:4]=[O;D1;H0:5])-[C@@H;D3;+0:6](-[C:7])-[C:8]>>[C:1]-[C;H0;D3;+0:2](-[CH2;D2;+0:3]-[C:4]=[O;D1;H0:5])=[C;H0;D3;+0:6](-[C:7])-[C:8] ca6bf4d3843f048cc97e6b025ab9bae5a35fe05fdc55a985dda797a9b598dc0f [CH3:1][O:2][C:3](=[O:4])[C@H:5]1[CH2:6][CH2:7][C@H:8]2[C@@H:9]3[CH2:10][CH2:11][C:12]4=[CH:13][C:14](=[O:15])[CH2:16][CH2:17][C@:18]4([CH3:19])[C@H:20]3[C:21](=[O:22])[CH2:23][C@:24]12[CH3:25]>CO.B.[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@H:5]1[CH2:6][CH2:7][C@H:8]2[C@@H:9]3[CH2:10][CH2:11][C:12]4=[CH:13][C@@H:14]([OH:15])[CH2:16][CH2:17][C@:18]4([CH3:19])[C@H:20]3[C:21](=[O:22])[CH2:23][C@:24]12[CH3:25] MDSBXIVOBOVZCB-OCMMWJAGSA-N>>JSWOHNMTYQHLQJ-KEIOVJBNSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[C:1]=[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 3d438d587d87521e60f8311dfb4f60605630598ea592a8172db481577c2b213e [CH3:1][C@:2]12[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C@H:10]4[CH2:11][C:12](=[O:13])[CH2:14][CH2:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[C:22](=[O:23])[O:24][CH2:25][CH2:26][CH2:27][N:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1>CC(C)O.CCN(CC)CC.Cl.Cl.Cl[Ir](Cl)(Cl)Cl.O>[CH3:1][C@:2]12[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C@H:10]4[CH2:11][C@H:12]([OH:13])[CH2:14][CH2:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[C:22](=[O:23])[O:24][CH2:25][CH2:26][CH2:27][N:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1 GAKPEZLIEMETNE-QCDUXSKOSA-N>>YEYMXKWKJLZRHH-YPLZYULSSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C@:2]12[CH2:3][CH2:4][C:5](=[O:6])[CH2:7][C@@H:8]1[CH2:9][CH2:10][C@@H:11]1[C@@H:12]2[CH2:13][CH2:14][C@:15]2([CH3:16])[C@@H:17]([C:18](=[O:19])[O:20][CH2:21][CH2:22][N:23]3[CH2:24][CH2:25][O:26][CH2:27][CH2:28]3)[CH2:29][CH2:30][C@@H:31]12>CC(C)O.CCN(CC)CC.O>[CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]([OH:6])[CH2:7][C@@H:8]1[CH2:9][CH2:10][C@@H:11]1[C@@H:12]2[CH2:13][CH2:14][C@:15]2([CH3:16])[C@@H:17]([C:18](=[O:19])[O:20][CH2:21][CH2:22][N:23]3[CH2:24][CH2:25][O:26][CH2:27][CH2:28]3)[CH2:29][CH2:30][C@@H:31]12 OGNIGGHAEGOWAF-SOPGZXPBSA-N>>BEZHUZRXXALDGQ-GAYCAQQDSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH2:8][C@H:9]4[CH2:10][C:11](=[O:12])[CH2:13][CH2:14][C@:15]34[CH3:16])[C@@H:17]1[CH2:18][CH2:19][C@@H:20]2[C:21]#[N:22]>CC(C)O.CCN(CC)CC.O>[CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH2:8][C@H:9]4[CH2:10][C@H:11]([OH:12])[CH2:13][CH2:14][C@:15]34[CH3:16])[C@@H:17]1[CH2:18][CH2:19][C@@H:20]2[C:21]#[N:22] VLLJZMNXQBVUEJ-RESXVSDNSA-N>>DVTDUTYENPZLFP-YBXIWKLVSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 O=C(O[OH:15])c1cccc(Cl)c1.[CH3:1][O:2][C:3](=[O:4])[C@H:5]1[CH2:6][CH2:7][C@H:8]2[C@@H:9]3[CH2:10][CH2:11][C@H:12]4[CH2:13][CH:14]=[CH:16][CH2:17][C@:18]4([CH3:19])[C@H:20]3[C:21](=[O:22])[CH2:23][C@:24]12[CH3:25]>ClC(Cl)Cl>[CH3:1][O:2][C:3](=[O:4])[C@H:5]1[CH2:6][CH2:7][C@H:8]2[C@@H:9]3[CH2:10][CH2:11][C@H:12]4[CH2:13][C@@H:14]5[O:15][C@@H:16]5[CH2:17][C@:18]4([CH3:19])[C@H:20]3[C:21](=[O:22])[CH2:23][C@:24]12[CH3:25] DHGZNFYGVYUJBM-IVGFNSMPSA-N.NHQDETIJWKXCTC-UHFFFAOYSA-N>>FCAUCIUIVZGXPY-VWNZIPOFSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3]1-[O;H0;D2;+0:1]-[C@H;D3;+0:4]-1-[C:5]>>Cl-c1:c:c:c:c(-C(=O)-O-[OH;D1;+0:1]):c:1.[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5] c347e171e5b6b45a33e6b67f722aa99cc6e0f8560df6c504bf73b47d0d8c6558 O=C(O[OH:13])c1cccc(Cl)c1.[CH3:1][C@:2]12[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C@H:10]4[CH2:11][CH:12]=[CH:14][CH2:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[C:22](=[O:23])[OH:24]>ClC(Cl)Cl>[CH3:1][C@:2]12[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C@H:10]4[CH2:11][C@@H:12]5[O:13][C@@H:14]5[CH2:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[C:22](=[O:23])[OH:24] NHQDETIJWKXCTC-UHFFFAOYSA-N.PNJOKNTUWIVWNE-KRVHPMGOSA-N>>LYDMGAQGVYMPJP-VRCWQVLRSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3]1-[O;H0;D2;+0:1]-[C@H;D3;+0:4]-1-[C:5]>>Cl-c1:c:c:c:c(-C(=O)-O-[OH;D1;+0:1]):c:1.[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5] c347e171e5b6b45a33e6b67f722aa99cc6e0f8560df6c504bf73b47d0d8c6558 O=C(O[OH:13])c1cccc(Cl)c1.[CH3:1][C@:2]12[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C@H:10]4[CH2:11][CH:12]=[CH:14][CH2:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[C:22]#[N:23]>ClC(Cl)Cl>[CH3:1][C@:2]12[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C@H:10]4[CH2:11][C@@H:12]5[O:13][C@@H:14]5[CH2:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[C:22]#[N:23] NHQDETIJWKXCTC-UHFFFAOYSA-N.SHHOSPSNWYHXSK-RUSOHIBLSA-N>>MXFMXTUBJOHMSV-AIFZQUMSSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3]1-[O;H0;D2;+0:1]-[C@H;D3;+0:4]-1-[C:5]>>Cl-c1:c:c:c:c(-C(=O)-O-[OH;D1;+0:1]):c:1.[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5] c347e171e5b6b45a33e6b67f722aa99cc6e0f8560df6c504bf73b47d0d8c6558 [CH3:1][C:2](=[O:3])[O:4][c:5]1[cH:6][c:7]2[c:8]([c:9]([O:10][C:11]([CH3:12])=[O:13])[cH:14]1)[C@H:15]1[CH2:16][CH2:17][C@:18]3([CH3:19])[C:20](=[O:21])[CH2:22][CH2:23][C@H:24]3[C@H:25]1[CH2:26][CH2:27]2>C1CCOC1.CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C.[HH].[Li+]>[CH3:1][C:2](=[O:3])[O:4][c:5]1[cH:6][c:7]2[c:8]([c:9]([O:10][C:11]([CH3:12])=[O:13])[cH:14]1)[C@H:15]1[CH2:16][CH2:17][C@:18]3([CH3:19])[C@@H:20]([OH:21])[CH2:22][CH2:23][C@H:24]3[C@H:25]1[CH2:26][CH2:27]2 WVDGQSUGVZLSHZ-ORGXJRBJSA-N>>BJSWGGDCGASCHC-CSLRNZCASA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d O=C(O[OH:14])c1cccc(Cl)c1.[CH3:1][C:2](=[O:3])[C:4]1=[CH:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C@H:11]4[CH2:12][CH:13]=[CH:15][CH2:16][C@:17]4([CH3:18])[C@H:19]3[C:20](=[O:21])[CH2:22][C@:23]12[CH3:24]>ClC(Cl)Cl>[CH3:1][C:2](=[O:3])[C:4]1=[CH:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C@H:11]4[CH2:12][C@@H:13]5[O:14][C@@H:15]5[CH2:16][C@:17]4([CH3:18])[C@H:19]3[C:20](=[O:21])[CH2:22][C@:23]12[CH3:24] FDRJCNNMNHVNRU-NECYCJOPSA-N.NHQDETIJWKXCTC-UHFFFAOYSA-N>>OCBCZIAHRSRHPX-ULVCVUGASA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3]1-[O;H0;D2;+0:1]-[C@H;D3;+0:4]-1-[C:5]>>Cl-c1:c:c:c:c(-C(=O)-O-[OH;D1;+0:1]):c:1.[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5] c347e171e5b6b45a33e6b67f722aa99cc6e0f8560df6c504bf73b47d0d8c6558 O=C(O[OH:14])c1cccc(Cl)c1.[CH3:1][C:2](=[O:3])[C:4]1=[CH:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C@H:11]4[CH2:12][CH:13]=[CH:15][CH2:16][C@:17]4([CH3:18])[C@H:19]3[CH2:20][CH2:21][C@:22]12[CH3:23]>ClC(Cl)Cl>[CH3:1][C:2](=[O:3])[C:4]1=[CH:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C@H:11]4[CH2:12][C@@H:13]5[O:14][C@@H:15]5[CH2:16][C@:17]4([CH3:18])[C@H:19]3[CH2:20][CH2:21][C@:22]12[CH3:23] MGWHYSWKICXITF-FHZOWUJFSA-N.NHQDETIJWKXCTC-UHFFFAOYSA-N>>IFYYGWRVPIARFB-XQYCTUDZSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3]1-[O;H0;D2;+0:1]-[C@H;D3;+0:4]-1-[C:5]>>Cl-c1:c:c:c:c(-C(=O)-O-[OH;D1;+0:1]):c:1.[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5] c347e171e5b6b45a33e6b67f722aa99cc6e0f8560df6c504bf73b47d0d8c6558 O=C(O[OH:15])c1cccc(Cl)c1.[CH3:1][C:2](=[O:3])[C:4]1=[C:5]([CH3:6])[CH2:7][C@H:8]2[C@@H:9]3[CH2:10][CH2:11][C@H:12]4[CH2:13][CH:14]=[CH:16][CH2:17][C@:18]4([CH3:19])[C@H:20]3[C:21](=[O:22])[CH2:23][C@:24]12[CH3:25]>ClCCl>[CH3:1][C:2](=[O:3])[C:4]1=[C:5]([CH3:6])[CH2:7][C@H:8]2[C@@H:9]3[CH2:10][CH2:11][C@H:12]4[CH2:13][C@@H:14]5[O:15][C@@H:16]5[CH2:17][C@:18]4([CH3:19])[C@H:20]3[C:21](=[O:22])[CH2:23][C@:24]12[CH3:25] NHQDETIJWKXCTC-UHFFFAOYSA-N.XIDFDQHWPTXYLC-HTQMUYGQSA-N>>SSRDAFDGWHZDNI-YDGNNSHOSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3]1-[O;H0;D2;+0:1]-[C@H;D3;+0:4]-1-[C:5]>>Cl-c1:c:c:c:c(-C(=O)-O-[OH;D1;+0:1]):c:1.[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5] c347e171e5b6b45a33e6b67f722aa99cc6e0f8560df6c504bf73b47d0d8c6558 O=C(O[OH:15])c1cccc(Cl)c1.[CH3:1][O:2][C:3](=[O:4])[C@H:5]1[CH2:6][CH2:7][C@H:8]2[C@@H:9]3[CH2:10][CH2:11][C@H:12]4[CH2:13][CH:14]=[CH:16][CH2:17][C@:18]4([CH3:19])[C@H:20]3[CH2:21][CH2:22][C@:23]12[CH3:24]>ClC(Cl)Cl>[CH3:1][O:2][C:3](=[O:4])[C@H:5]1[CH2:6][CH2:7][C@H:8]2[C@@H:9]3[CH2:10][CH2:11][C@H:12]4[CH2:13][C@@H:14]5[O:15][C@@H:16]5[CH2:17][C@:18]4([CH3:19])[C@H:20]3[CH2:21][CH2:22][C@:23]12[CH3:24] NHQDETIJWKXCTC-UHFFFAOYSA-N.RRCMFTVUUMZNJK-VDBGNAEESA-N>>BHZDSCZEKWGBRL-GPYJLQRLSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3]1-[O;H0;D2;+0:1]-[C@H;D3;+0:4]-1-[C:5]>>Cl-c1:c:c:c:c(-C(=O)-O-[OH;D1;+0:1]):c:1.[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5] c347e171e5b6b45a33e6b67f722aa99cc6e0f8560df6c504bf73b47d0d8c6558 [CH3:1][CH2:2]/[CH:3]=[CH:4]\[CH2:5][C@H:6]([OH:7])/[CH:8]=[CH:9]/[C@H:10]1[C@H:11]([OH:12])[CH2:13][C:14](=[O:15])[C@@H:16]1[CH2:17]/[CH:18]=[CH:19]\[CH2:20][CH2:21][CH2:22][C:23](=[O:24])[OH:25]>CO.B.[Na+]>[CH3:1][CH2:2]/[CH:3]=[CH:4]\[CH2:5][C@H:6]([OH:7])/[CH:8]=[CH:9]/[C@H:10]1[C@H:11]([OH:12])[CH2:13][C@H:14]([OH:15])[C@@H:16]1[CH2:17]/[CH:18]=[CH:19]\[CH2:20][CH2:21][CH2:22][C:23](=[O:24])[OH:25] CBOMORHDRONZRN-QLOYDKTKSA-N>>SAKGBZWJAIABSY-SAMSIYEGSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C:9]1=[C:10]([CH2:11][CH2:12]2)[C:13]2=[CH:14][CH2:15][C:16](=[O:17])[C@@:18]2([CH3:19])[CH2:20][CH2:21]1>C1COCCO1.[Ni]>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C:9]1=[C:10]([CH2:11][CH2:12]2)[C@@H:13]2[CH2:14][CH2:15][C:16](=[O:17])[C@@:18]2([CH3:19])[CH2:20][CH2:21]1 GYDAWQFRJMIWHJ-IBGZPJMESA-N>>OPWFBDDCTNOIJT-HKUYNNGSSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@H;D3;+0:3]1-[C:8]-[C:6](=[O;D1;H0:7])-[C:5]-[CH2;D2;+0:4]-1>>[C:1]=[C:2]-[C;H0;D3;+0:3]1=[CH;D2;+0:4]-[C:5]-[C:6](=[O;D1;H0:7])-[C:8]-1 d00561450938f5a21b3be79f9496c7800e832a0c02fa04cd69ed012815e6c75e [CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C:6]3=[C:7]([CH2:8][CH2:9][c:10]4[c:11]3[cH:12][cH:13][c:14]([O:15][CH3:16])[cH:17]4)[C:18]1=[CH:19][CH2:20][C:21]2=[O:22]>C1COCCO1.[H][H].[Ni]>[CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C:6]3=[C:7]([CH2:8][CH2:9][c:10]4[c:11]3[cH:12][cH:13][c:14]([O:15][CH3:16])[cH:17]4)[C@@H:18]1[CH2:19][CH2:20][C:21]2=[O:22] ZKFDNQOPOKFLFH-FQEVSTJZSA-N>>PFKPABPFEUSONI-ICSRJNTNSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@H;D3;+0:3]1-[C:8]-[C:6](=[O;D1;H0:7])-[C:5]-[CH2;D2;+0:4]-1>>[C:1]=[C:2]-[C;H0;D3;+0:3]1=[CH;D2;+0:4]-[C:5]-[C:6](=[O;D1;H0:7])-[C:8]-1 d00561450938f5a21b3be79f9496c7800e832a0c02fa04cd69ed012815e6c75e [CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C:9]1=[C:10]([CH2:11][CH2:12]2)[C:13]2=[CH:14][CH2:15][C:16](=[O:17])[C@@:18]2([CH:19]([CH3:20])[CH3:21])[CH2:22][CH2:23]1>C1COCCO1.[H][H].[Ni]>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C:9]1=[C:10]([CH2:11][CH2:12]2)[C@@H:13]2[CH2:14][CH2:15][C:16](=[O:17])[C@@:18]2([CH:19]([CH3:20])[CH3:21])[CH2:22][CH2:23]1 NCLAXPDOQGKFTK-OAQYLSRUSA-N>>ZAOGZRLYEXWJNB-PZJWPPBQSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@H;D3;+0:3]1-[C:8]-[C:6](=[O;D1;H0:7])-[C:5]-[CH2;D2;+0:4]-1>>[C:1]=[C:2]-[C;H0;D3;+0:3]1=[CH;D2;+0:4]-[C:5]-[C:6](=[O;D1;H0:7])-[C:8]-1 d00561450938f5a21b3be79f9496c7800e832a0c02fa04cd69ed012815e6c75e [CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C:9]1=[C:10]([CH2:11][CH2:12]2)[C:13]2=[CH:14][CH2:15][C:16](=[O:17])[C@@:18]2([CH2:19][CH:20]([CH3:21])[CH3:22])[CH2:23][CH2:24]1>[H][H].[Pd].c1ccccc1>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C:9]1=[C:10]([CH2:11][CH2:12]2)[C@@H:13]2[CH2:14][CH2:15][C:16](=[O:17])[C@@:18]2([CH2:19][CH:20]([CH3:21])[CH3:22])[CH2:23][CH2:24]1 MUDGACCXHIMEFN-JOCHJYFZSA-N>>HAKXANAVQRYPMZ-RBBKRZOGSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@H;D3;+0:3]1-[C:8]-[C:6](=[O;D1;H0:7])-[C:5]-[CH2;D2;+0:4]-1>>[C:1]=[C:2]-[C;H0;D3;+0:3]1=[CH;D2;+0:4]-[C:5]-[C:6](=[O;D1;H0:7])-[C:8]-1 d00561450938f5a21b3be79f9496c7800e832a0c02fa04cd69ed012815e6c75e [CH3:1][C@:2]12[CH2:3][CH2:4][C:5]3=[C:6]([CH2:7][CH2:8][c:9]4[c:10]3[cH:11][cH:12][c:13]([OH:14])[cH:15]4)[C:16]1=[CH:17][CH2:18][C:19]2=[O:20]>C.[H][H].c1ccccc1>[CH3:1][C@:2]12[CH2:3][CH2:4][C:5]3=[C:6]([CH2:7][CH2:8][c:9]4[c:10]3[cH:11][cH:12][c:13]([OH:14])[cH:15]4)[C@@H:16]1[CH2:17][CH2:18][C:19]2=[O:20] KGXSTJRDEGIHOS-SFHVURJKSA-N>>OUGSRCWSHMWPQE-WMZOPIPTSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@H;D3;+0:3]1-[C:8]-[C:6](=[O;D1;H0:7])-[C:5]-[CH2;D2;+0:4]-1>>[C:1]=[C:2]-[C;H0;D3;+0:3]1=[CH;D2;+0:4]-[C:5]-[C:6](=[O;D1;H0:7])-[C:8]-1 d00561450938f5a21b3be79f9496c7800e832a0c02fa04cd69ed012815e6c75e [CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C:6]3=[C:7]([CH2:8][CH2:9][c:10]4[c:11]3[cH:12][cH:13][c:14]([OH:15])[cH:16]4)[C:17]1=[CH:18][CH2:19][C:20]2=[O:21]>C.c1ccccc1>[CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C:6]3=[C:7]([CH2:8][CH2:9][c:10]4[c:11]3[cH:12][cH:13][c:14]([OH:15])[cH:16]4)[C@@H:17]1[CH2:18][CH2:19][C:20]2=[O:21] KUHGATGEXIYNKE-IBGZPJMESA-N>>GGRJAVKHJNLAFH-HKUYNNGSSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@H;D3;+0:3]1-[C:8]-[C:6](=[O;D1;H0:7])-[C:5]-[CH2;D2;+0:4]-1>>[C:1]=[C:2]-[C;H0;D3;+0:3]1=[CH;D2;+0:4]-[C:5]-[C:6](=[O;D1;H0:7])-[C:8]-1 d00561450938f5a21b3be79f9496c7800e832a0c02fa04cd69ed012815e6c75e [CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C:6]3=[C:7]([CH2:8][CH2:9][c:10]4[c:11]3[cH:12][cH:13][c:14]([O:15][C:16]([CH3:17])=[O:18])[cH:19]4)[C:20]1=[CH:21][CH2:22][C:23]2=[O:24]>C.c1ccccc1>[CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C:6]3=[C:7]([CH2:8][CH2:9][c:10]4[c:11]3[cH:12][cH:13][c:14]([O:15][C:16]([CH3:17])=[O:18])[cH:19]4)[C@@H:20]1[CH2:21][CH2:22][C:23]2=[O:24] RSIIFIQHZABOLD-NRFANRHFSA-N>>QJOQCXNZECYSQT-FPOVZHCZSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@H;D3;+0:3]1-[C:8]-[C:6](=[O;D1;H0:7])-[C:5]-[CH2;D2;+0:4]-1>>[C:1]=[C:2]-[C;H0;D3;+0:3]1=[CH;D2;+0:4]-[C:5]-[C:6](=[O;D1;H0:7])-[C:8]-1 d00561450938f5a21b3be79f9496c7800e832a0c02fa04cd69ed012815e6c75e [CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C:9]1=[C:10]([CH2:11][CH2:12]2)[C@@H:13]2[CH2:14][CH2:15][C:16](=[O:17])[C@@:18]2([CH3:19])[CH2:20][CH2:21]1>CC(=O)O.CCO.B.[Na+]>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C:9]1=[C:10]([CH2:11][CH2:12]2)[C@@H:13]2[CH2:14][CH2:15][C@H:16]([OH:17])[C@@:18]2([CH3:19])[CH2:20][CH2:21]1 OPWFBDDCTNOIJT-HKUYNNGSSA-N>>DSPYHYQINLYOKE-FHWLQOOXSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C:6]3=[C:7]([CH2:8][CH2:9][c:10]4[c:11]3[cH:12][cH:13][c:14]([O:15][CH3:16])[cH:17]4)[C@@H:18]1[CH2:19][CH2:20][C:21]2=[O:22]>CC(=O)O.CO.B.[Na+]>[CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C:6]3=[C:7]([CH2:8][CH2:9][c:10]4[c:11]3[cH:12][cH:13][c:14]([O:15][CH3:16])[cH:17]4)[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[OH:22] PFKPABPFEUSONI-ICSRJNTNSA-N>>VOVSXUVLXBTVLM-UFYCRDLUSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][CH2:2][CH2:3][C@:4]12[CH2:5][CH2:6][C:7]3=[C:8]([CH2:9][CH2:10][c:11]4[c:12]3[cH:13][cH:14][c:15]([O:16][CH3:17])[cH:18]4)[C@@H:19]1[CH2:20][CH2:21][C:22]2=[O:23]>CO.B.[Na+]>[CH3:1][CH2:2][CH2:3][C@:4]12[CH2:5][CH2:6][C:7]3=[C:8]([CH2:9][CH2:10][c:11]4[c:12]3[cH:13][cH:14][c:15]([O:16][CH3:17])[cH:18]4)[C@@H:19]1[CH2:20][CH2:21][C@@H:22]2[OH:23] PCLQJVZUYKYFNW-FPOVZHCZSA-N>>CQTUUIGPYUGYNH-ACRUOGEOSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C:9]1=[C:10]([CH2:11][CH2:12]2)[C@@H:13]2[CH2:14][CH2:15][C:16](=[O:17])[C@@:18]2([CH2:19][CH:20]([CH3:21])[CH3:22])[CH2:23][CH2:24]1>CC(=O)O.CO.B.[Na+]>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C:9]1=[C:10]([CH2:11][CH2:12]2)[C@@H:13]2[CH2:14][CH2:15][C@H:16]([OH:17])[C@@:18]2([CH2:19][CH:20]([CH3:21])[CH3:22])[CH2:23][CH2:24]1 HAKXANAVQRYPMZ-RBBKRZOGSA-N>>BXJQEBFMIHBBKY-FDFHNCONSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][C@:17]12[CH2:18][CH2:19][C:20]3=[C:21]([CH2:22][CH2:23][c:24]4[c:25]3[cH:26][cH:27][c:28]([O:29][CH3:30])[cH:31]4)[C@@H:32]1[CH2:33][CH2:34][C:35]2=[O:36]>CC(=O)O.CCO.B.[Na+]>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][C@:17]12[CH2:18][CH2:19][C:20]3=[C:21]([CH2:22][CH2:23][c:24]4[c:25]3[cH:26][cH:27][c:28]([O:29][CH3:30])[cH:31]4)[C@@H:32]1[CH2:33][CH2:34][C@@H:35]2[OH:36] UIHPNXOFWUFNFY-TWJUONSBSA-N>>KHKUBTQSMXPWGC-AFEGWXKPSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C:6]3=[C:7]([CH2:8][CH2:9][c:10]4[c:11]3[cH:12][cH:13][c:14]([O:15][CH3:16])[cH:17]4)[C:18]1=[CH:19][CH2:20][C:21]21[O:22][CH2:23][CH2:24][O:25]1>[H][H].[Pd].c1ccccc1>[CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C:6]3=[C:7]([CH2:8][CH2:9][c:10]4[c:11]3[cH:12][cH:13][c:14]([O:15][CH3:16])[cH:17]4)[C@@H:18]1[CH2:19][CH2:20][C:21]21[O:22][CH2:23][CH2:24][O:25]1 NXEGVMCSFNENEF-NRFANRHFSA-N>>JKELSHVIHANHST-SFTDATJTSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@H;D3;+0:3]1-[C:11]-[C:6]2(-[#8:7]-[C:8]-[C:9]-[#8:10]-2)-[C:5]-[CH2;D2;+0:4]-1>>[C:1]=[C:2]-[C;H0;D3;+0:3]1=[CH;D2;+0:4]-[C:5]-[C:6]2(-[#8:7]-[C:8]-[C:9]-[#8:10]-2)-[C:11]-1 466fe429868c1680f445abdb2b113eff55838ddb515f4d36066a0376a9caeaf1 [CH3:1][CH2:2][CH2:3][C@:4]12[CH2:5][CH2:6][C:7]3=[C:8]([CH2:9][CH2:10][c:11]4[c:12]3[cH:13][cH:14][c:15]([O:16][CH3:17])[cH:18]4)[C:19]1=[CH:20][CH2:21][C:22]21[O:23][CH2:24][CH2:25][O:26]1>[H][H].[Pd].c1ccccc1>[CH3:1][CH2:2][CH2:3][C@:4]12[CH2:5][CH2:6][C:7]3=[C:8]([CH2:9][CH2:10][c:11]4[c:12]3[cH:13][cH:14][c:15]([O:16][CH3:17])[cH:18]4)[C@@H:19]1[CH2:20][CH2:21][C:22]21[O:23][CH2:24][CH2:25][O:26]1 MOTMSGKXDAJSIR-QFIPXVFZSA-N>>HCDSCPNUIPTOSH-VXKWHMMOSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@H;D3;+0:3]1-[C:11]-[C:6]2(-[#8:7]-[C:8]-[C:9]-[#8:10]-2)-[C:5]-[CH2;D2;+0:4]-1>>[C:1]=[C:2]-[C;H0;D3;+0:3]1=[CH;D2;+0:4]-[C:5]-[C:6]2(-[#8:7]-[C:8]-[C:9]-[#8:10]-2)-[C:11]-1 466fe429868c1680f445abdb2b113eff55838ddb515f4d36066a0376a9caeaf1 [CH3:1][CH2:2][CH2:3][C@:4]12[CH2:5][CH2:6][C:7]3=[C:18]([CH2:17][CH2:16][c:9]4[c:8]3[cH:15][cH:14][c:11]([O:12][CH3:13])[cH:10]4)[C@@H:19]1[CH2:20][CH2:21][C@@H:22]2[OH:23]>C1CCOC1.N.Nc1ccccc1.[Li]>[CH3:1][CH2:2][CH2:3][C@:4]12[CH2:5][CH2:6][C@@H:7]3[c:8]4[c:9]([cH:10][c:11]([O:12][CH3:13])[cH:14][cH:15]4)[CH2:16][CH2:17][C@H:18]3[C@@H:19]1[CH2:20][CH2:21][C@@H:22]2[OH:23] CQTUUIGPYUGYNH-ACRUOGEOSA-N>>BJWBIRGTPKXCAO-MJCUULBUSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[C@H;D3;+0:4](-[C:5])-[c:6]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[C;H0;D3;+0:4](-[C:5])-[c:6] 10343437b48677ca58f20cd807a719af439eee956b609c7361d76381aa691fcf [CH3:1][CH2:2][CH2:3][CH2:4][C@:5]12[CH2:6][CH2:7][C:8]3=[C:19]([CH2:18][CH2:17][c:10]4[c:9]3[cH:16][cH:15][c:12]([O:13][CH3:14])[cH:11]4)[C@@H:20]1[CH2:21][CH2:22][C@@H:23]2[OH:24]>C1CCOC1.CCOCC.CO.N.Nc1ccccc1.Cl.N.[Na]>[CH3:1][CH2:2][CH2:3][CH2:4][C@:5]12[CH2:6][CH2:7][C@@H:8]3[c:9]4[c:10]([cH:11][c:12]([O:13][CH3:14])[cH:15][cH:16]4)[CH2:17][CH2:18][C@H:19]3[C@@H:20]1[CH2:21][CH2:22][C@@H:23]2[OH:24] CIHKEAXOXDLAFJ-FKBYEOEOSA-N>>DAYCPSSSHXKHFO-AANPDWTMSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[C@H;D3;+0:4](-[C:5])-[c:6]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[C;H0;D3;+0:4](-[C:5])-[c:6] 10343437b48677ca58f20cd807a719af439eee956b609c7361d76381aa691fcf [CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C:6]3=[C:17]([CH2:16][CH2:15][c:8]4[c:7]3[cH:14][cH:13][c:10]([O:11][CH3:12])[cH:9]4)[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[OH:22]>C1CCOC1.N.Nc1ccccc1.Cl.[Li].N>[CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C@@H:6]3[c:7]4[c:8]([cH:9][c:10]([O:11][CH3:12])[cH:13][cH:14]4)[CH2:15][CH2:16][C@H:17]3[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[OH:22] VOVSXUVLXBTVLM-UFYCRDLUSA-N>>CNPGMVAEOUQDBN-SLHNCBLASA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[C@H;D3;+0:4](-[C:5])-[c:6]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[C;H0;D3;+0:4](-[C:5])-[c:6] 10343437b48677ca58f20cd807a719af439eee956b609c7361d76381aa691fcf C[O:11][c:10]1[cH:9][cH:8][c:7]2[c:13]([cH:12]1)[CH2:14][CH2:15][C@@H:16]1[C@@H:6]2[CH2:5][CH2:4][C@@:3]2([CH2:2][CH3:1])[C@H:17]1[CH2:18][CH2:19][C@@H:20]2[OH:21]>C1CCOC1.CCO.N.O.[Li]>[CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C@@H:6]3[C@H:7]4[CH2:8][CH2:9][C:10](=[O:11])[CH:12]=[C:13]4[CH2:14][CH2:15][C@H:16]3[C@@H:17]1[CH2:18][CH2:19][C@@H:20]2[OH:21] CNPGMVAEOUQDBN-SLHNCBLASA-N>>FBYZQDCRLYHHHP-ZOFHRBRSSA-N 0.0 Unrecognized False substrate controlled False [C:5]-[C;H0;D3;+0:4]1=[CH;D2;+0:3]-[C;H0;D3;+0:2](=[O;H0;D1;+0:1])-[CH2;D2;+0:9]-[CH2;D2;+0:8]-[C@@H;D3;+0:6]-1-[C:7]>>C-[O;H0;D2;+0:1]-[c;H0;D3;+0:2]1:[cH;D2;+0:3]:[c;H0;D3;+0:4](-[C:5]):[c;H0;D3;+0:6](-[C:7]):[cH;D2;+0:8]:[cH;D2;+0:9]:1 5e8b1148b30b2f7a25f0d28268fafd52bfc0593ed957b948dd1330a0bd870622 C[O:11][C:10]1=[CH:9][CH2:8][C:7]2=[C:13]([CH2:12]1)[CH2:14][CH2:15][C@@H:16]1[C@@H:6]2[CH2:5][CH2:4][C@@:3]2([CH2:2][CH3:1])[C@H:17]1[CH2:18][CH2:19][C@@H:20]2[OH:21]>CCOCC.CO.Cl.O>[CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C@@H:6]3[C@H:7]4[CH2:8][CH2:9][C:10](=[O:11])[CH:12]=[C:13]4[CH2:14][CH2:15][C@H:16]3[C@@H:17]1[CH2:18][CH2:19][C@@H:20]2[OH:21] DKGAZBPXLWEBPI-SLHNCBLASA-N>>FBYZQDCRLYHHHP-ZOFHRBRSSA-N 0.0 Unrecognized False substrate controlled False [C:8]-[C;H0;D3;+0:7]1=[CH;D2;+0:9]-[C;H0;D3;+0:2](=[O;H0;D1;+0:1])-[CH2;D2;+0:3]-[C:4]-[C@@H;D3;+0:5]-1-[C:6]>>C-[O;H0;D2;+0:1]-[C;H0;D3;+0:2]1=[CH;D2;+0:3]-[C:4]-[C;H0;D3;+0:5](-[C:6])=[C;H0;D3;+0:7](-[C:8])-[CH2;D2;+0:9]-1 c53460fddee8c36516c258351546efc0b2b4e8c5e9838b59136a2ca8c03e9a0f [CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C@@H:6]3[C:7]4=[C:13]([CH2:12][C:10](=[O:11])[CH2:9][CH2:8]4)[CH2:14][CH2:15][C@H:16]3[C@@H:17]1[CH2:18][CH2:19][C@@H:20]2[OH:21]>CO.Cl.O>[CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C@@H:6]3[C@H:7]4[CH2:8][CH2:9][C:10](=[O:11])[CH:12]=[C:13]4[CH2:14][CH2:15][C@H:16]3[C@@H:17]1[CH2:18][CH2:19][C@@H:20]2[OH:21] QPMNGGXFIBQZIT-GFEQUFNTSA-N>>FBYZQDCRLYHHHP-ZOFHRBRSSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C;H0;D3;+0:2](=[CH;D2;+0:3]-[C:4]=[O;D1;H0:5])-[C@@H;D3;+0:6](-[C:7])-[C:8]>>[C:1]-[C;H0;D3;+0:2](-[CH2;D2;+0:3]-[C:4]=[O;D1;H0:5])=[C;H0;D3;+0:6](-[C:7])-[C:8] ca6bf4d3843f048cc97e6b025ab9bae5a35fe05fdc55a985dda797a9b598dc0f [CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C@@H:6]3[C@H:7]4[CH2:8][CH2:9][C:10](=[O:11])[CH:12]=[C:13]4[CH2:14][CH2:15][C@H:16]3[C@@H:17]1[CH2:18][CH2:19][C:20]2=[O:21]>CC(=O)O.CCO.B.[Na+]>[CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C@@H:6]3[C@H:7]4[CH2:8][CH2:9][C:10](=[O:11])[CH:12]=[C:13]4[CH2:14][CH2:15][C@H:16]3[C@@H:17]1[CH2:18][CH2:19][C@@H:20]2[OH:21] SBLHOJQRZNGHLQ-ATIFRJIPSA-N>>FBYZQDCRLYHHHP-ZOFHRBRSSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 C[O:12][C:11]1=[CH:10][CH2:9][C:8]2=[C:14]([CH2:13]1)[CH2:15][CH2:16][C@@H:17]1[C@@H:7]2[CH2:6][CH2:5][C@@:4]2([CH2:3][CH2:2][CH3:1])[C@H:18]1[CH2:19][CH2:20][C@@H:21]2[OH:22]>CO.Cl.O>[CH3:1][CH2:2][CH2:3][C@:4]12[CH2:5][CH2:6][C@@H:7]3[C@H:8]4[CH2:9][CH2:10][C:11](=[O:12])[CH:13]=[C:14]4[CH2:15][CH2:16][C@H:17]3[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[OH:22] CGXDOFVHHKVXFB-MJCUULBUSA-N>>YUAOGPIMAPNIIB-XGXHKTLJSA-N 0.0 Unrecognized False substrate controlled False [C:8]-[C;H0;D3;+0:7]1=[CH;D2;+0:9]-[C;H0;D3;+0:2](=[O;H0;D1;+0:1])-[CH2;D2;+0:3]-[C:4]-[C@@H;D3;+0:5]-1-[C:6]>>C-[O;H0;D2;+0:1]-[C;H0;D3;+0:2]1=[CH;D2;+0:3]-[C:4]-[C;H0;D3;+0:5](-[C:6])=[C;H0;D3;+0:7](-[C:8])-[CH2;D2;+0:9]-1 c53460fddee8c36516c258351546efc0b2b4e8c5e9838b59136a2ca8c03e9a0f C[O:12][C:11]1=[CH:10][CH2:9][C:8]2=[C:14]([CH2:13]1)[CH2:15][CH2:16][C@@H:17]1[C@@H:7]2[CH2:6][CH2:5][C@@:4]2([CH:2]([CH3:1])[CH3:3])[C@H:18]1[CH2:19][CH2:20][C@@H:21]2[OH:22]>CO.Cl.O>[CH3:1][CH:2]([CH3:3])[C@:4]12[CH2:5][CH2:6][C@@H:7]3[C@H:8]4[CH2:9][CH2:10][C:11](=[O:12])[CH:13]=[C:14]4[CH2:15][CH2:16][C@H:17]3[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[OH:22] MYZJGIDFLYCXKM-CRSSMBPESA-N>>BJERHVGOPAQCNY-JBKQDOAHSA-N 0.0 Unrecognized False substrate controlled False [C:8]-[C;H0;D3;+0:7]1=[CH;D2;+0:9]-[C;H0;D3;+0:2](=[O;H0;D1;+0:1])-[CH2;D2;+0:3]-[C:4]-[C@@H;D3;+0:5]-1-[C:6]>>C-[O;H0;D2;+0:1]-[C;H0;D3;+0:2]1=[CH;D2;+0:3]-[C:4]-[C;H0;D3;+0:5](-[C:6])=[C;H0;D3;+0:7](-[C:8])-[CH2;D2;+0:9]-1 c53460fddee8c36516c258351546efc0b2b4e8c5e9838b59136a2ca8c03e9a0f C[O:13][C:12]1=[CH:11][CH2:10][C:9]2=[C:15]([CH2:14]1)[CH2:16][CH2:17][C@@H:18]1[C@@H:8]2[CH2:7][CH2:6][C@@:5]2([CH2:4][CH:2]([CH3:1])[CH3:3])[C@H:19]1[CH2:20][CH2:21][C@@H:22]2[OH:23]>CO.Cl.O>[CH3:1][CH:2]([CH3:3])[CH2:4][C@:5]12[CH2:6][CH2:7][C@@H:8]3[C@H:9]4[CH2:10][CH2:11][C:12](=[O:13])[CH:14]=[C:15]4[CH2:16][CH2:17][C@H:18]3[C@@H:19]1[CH2:20][CH2:21][C@@H:22]2[OH:23] HLRPXCZPYIKZFS-LXHROKJGSA-N>>JETQSJGXZQNFIT-ZUHHCLADSA-N 0.0 Unrecognized False substrate controlled False [C:8]-[C;H0;D3;+0:7]1=[CH;D2;+0:9]-[C;H0;D3;+0:2](=[O;H0;D1;+0:1])-[CH2;D2;+0:3]-[C:4]-[C@@H;D3;+0:5]-1-[C:6]>>C-[O;H0;D2;+0:1]-[C;H0;D3;+0:2]1=[CH;D2;+0:3]-[C:4]-[C;H0;D3;+0:5](-[C:6])=[C;H0;D3;+0:7](-[C:8])-[CH2;D2;+0:9]-1 c53460fddee8c36516c258351546efc0b2b4e8c5e9838b59136a2ca8c03e9a0f C[O:11][C:10]1=[CH:9][CH2:8][C:7]2=[C:13]([CH2:12]1)[CH2:14][CH2:15][C@@H:16]1[C@@H:6]2[CH2:5][CH2:4][C@@:3]2([CH2:2][CH3:1])[C@H:17]1[CH2:18][CH2:19][C@@H:20]2[O:21][CH3:22]>C1CCOC1.CO.Cl.O>[CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C@@H:6]3[C@H:7]4[CH2:8][CH2:9][C:10](=[O:11])[CH:12]=[C:13]4[CH2:14][CH2:15][C@H:16]3[C@@H:17]1[CH2:18][CH2:19][C@@H:20]2[O:21][CH3:22] SDTOGDRSZDWKSV-MJCUULBUSA-N>>HAZAPZGBIQVXMS-XGXHKTLJSA-N 0.0 Unrecognized False substrate controlled False [C:8]-[C;H0;D3;+0:7]1=[CH;D2;+0:9]-[C;H0;D3;+0:2](=[O;H0;D1;+0:1])-[CH2;D2;+0:3]-[C:4]-[C@@H;D3;+0:5]-1-[C:6]>>C-[O;H0;D2;+0:1]-[C;H0;D3;+0:2]1=[CH;D2;+0:3]-[C:4]-[C;H0;D3;+0:5](-[C:6])=[C;H0;D3;+0:7](-[C:8])-[CH2;D2;+0:9]-1 c53460fddee8c36516c258351546efc0b2b4e8c5e9838b59136a2ca8c03e9a0f C[O:11][C:10]1=[CH:9][CH2:8][C:7]2=[C:13]([CH2:12]1)[CH2:14][CH2:15][C@@H:16]1[C@@H:6]2[CH2:5][CH2:4][C@@:3]2([CH2:2][CH3:1])[C@H:17]1[CH2:18][CH2:19][C:20]2=[O:21]>CO.Cl.O.O=C(O)O.[Na+]>[CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C@@H:6]3[C@H:7]4[CH2:8][CH2:9][C:10](=[O:11])[CH:12]=[C:13]4[CH2:14][CH2:15][C@H:16]3[C@@H:17]1[CH2:18][CH2:19][C:20]2=[O:21] PQMRKLSVUBRLLQ-XSYGEPLQSA-N>>SBLHOJQRZNGHLQ-ATIFRJIPSA-N 0.0 Unrecognized False substrate controlled False [C:8]-[C;H0;D3;+0:7]1=[CH;D2;+0:9]-[C;H0;D3;+0:2](=[O;H0;D1;+0:1])-[CH2;D2;+0:3]-[C:4]-[C@@H;D3;+0:5]-1-[C:6]>>C-[O;H0;D2;+0:1]-[C;H0;D3;+0:2]1=[CH;D2;+0:3]-[C:4]-[C;H0;D3;+0:5](-[C:6])=[C;H0;D3;+0:7](-[C:8])-[CH2;D2;+0:9]-1 c53460fddee8c36516c258351546efc0b2b4e8c5e9838b59136a2ca8c03e9a0f [CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C@@H:6]3[C:7]4=[C:13]([CH2:12][C:10](=[O:11])[CH2:9][CH2:8]4)[CH2:14][CH2:15][C@H:16]3[C@@H:17]1[CH2:18][CH2:19][C:20]2=[O:21]>CO.Cl.O.O=C(O)O.[Na+]>[CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C@@H:6]3[C@H:7]4[CH2:8][CH2:9][C:10](=[O:11])[CH:12]=[C:13]4[CH2:14][CH2:15][C@H:16]3[C@@H:17]1[CH2:18][CH2:19][C:20]2=[O:21] FUYOSZYGTZFADU-VXNCWWDNSA-N>>SBLHOJQRZNGHLQ-ATIFRJIPSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C;H0;D3;+0:2](=[CH;D2;+0:3]-[C:4]=[O;D1;H0:5])-[C@@H;D3;+0:6](-[C:7])-[C:8]>>[C:1]-[C;H0;D3;+0:2](-[CH2;D2;+0:3]-[C:4]=[O;D1;H0:5])=[C;H0;D3;+0:6](-[C:7])-[C:8] ca6bf4d3843f048cc97e6b025ab9bae5a35fe05fdc55a985dda797a9b598dc0f C[O:10][C:9]1=[CH:8][CH2:7][C:6]2=[C:12]([CH2:11]1)[CH2:13][CH2:14][C@@H:15]1[C@@H:5]2[CH2:4][CH2:3][C@@:2]2([CH3:1])[C@H:16]1[CH2:17][CH2:18][C@@H:19]2[OH:20]>CO.Cl.O>[CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[C@H:6]4[CH2:7][CH2:8][C:9](=[O:10])[CH:11]=[C:12]4[CH2:13][CH2:14][C@H:15]3[C@@H:16]1[CH2:17][CH2:18][C@@H:19]2[OH:20] XFFZLECPCHQJIR-GFEQUFNTSA-N>>NPAGDVCDWIYMMC-IZPLOLCNSA-N 0.0 Unrecognized False substrate controlled False [C:8]-[C;H0;D3;+0:7]1=[CH;D2;+0:9]-[C;H0;D3;+0:2](=[O;H0;D1;+0:1])-[CH2;D2;+0:3]-[C:4]-[C@@H;D3;+0:5]-1-[C:6]>>C-[O;H0;D2;+0:1]-[C;H0;D3;+0:2]1=[CH;D2;+0:3]-[C:4]-[C;H0;D3;+0:5](-[C:6])=[C;H0;D3;+0:7](-[C:8])-[CH2;D2;+0:9]-1 c53460fddee8c36516c258351546efc0b2b4e8c5e9838b59136a2ca8c03e9a0f C[O:11][C:10]1=[CH:9][CH2:8][C:7]2=[C:13]([CH2:12]1)[CH2:14][CH2:15][C@@H:16]1[C@@H:6]2[CH2:5][CH2:4][C@@:3]2([CH2:2][CH3:1])[C@H:17]1[CH2:18][CH2:19][C@@:20]2([OH:21])[CH:22]([CH3:23])[OH:24]>CO.Cl.O>[CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C@@H:6]3[C@H:7]4[CH2:8][CH2:9][C:10](=[O:11])[CH:12]=[C:13]4[CH2:14][CH2:15][C@H:16]3[C@@H:17]1[CH2:18][CH2:19][C@@:20]2([OH:21])[CH:22]([CH3:23])[OH:24] QFMAENPQTREUHT-BBKAIGHLSA-N>>HEYDALLMGALAJW-GAJGNITGSA-N 0.0 Unrecognized False substrate controlled False [C:8]-[C;H0;D3;+0:7]1=[CH;D2;+0:9]-[C;H0;D3;+0:2](=[O;H0;D1;+0:1])-[CH2;D2;+0:3]-[C:4]-[C@@H;D3;+0:5]-1-[C:6]>>C-[O;H0;D2;+0:1]-[C;H0;D3;+0:2]1=[CH;D2;+0:3]-[C:4]-[C;H0;D3;+0:5](-[C:6])=[C;H0;D3;+0:7](-[C:8])-[CH2;D2;+0:9]-1 c53460fddee8c36516c258351546efc0b2b4e8c5e9838b59136a2ca8c03e9a0f [C:3]1(=[O:4])[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH:10]([CH3:11])[C:12]4=[C:13]([CH2:14][CH:15]=[C:16]([O:17][CH3:18])[CH2:19]4)[C@H:20]3[CH2:21][CH2:22][C@:23]12[CH2:24][CH3:25].[CH:1]#[CH:2]>CC(=O)N(C)C.NCCN.C#C.[Li+].[Li+]>[CH:1]#[C:2][C@:3]1([OH:4])[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH:10]([CH3:11])[C:12]4=[C:13]([CH2:14][CH:15]=[C:16]([O:17][CH3:18])[CH2:19]4)[C@H:20]3[CH2:21][CH2:22][C@:23]12[CH2:24][CH3:25] HSFWRNGVRCDJHI-UHFFFAOYSA-N.OYKCBSDCYYJEMC-LSHBMACZSA-N>>YTMMWJUXRWBERZ-HLUNWBLYSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@;H0;D4;+0:4](-[C:5])(-[OH;D1;+0:6])-[C;H0;D2;+0:2]#[C;D1;H1:1]>>[C;D1;H1:1]#[CH;D1;+0:2].[C:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 8104d78889a291ce07e1e8832d914a004d1bae693e6a56e08d7d7a5cf3b0db63 [CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C:6]3=[C:7]([CH2:8][CH:9]([CH3:10])[c:11]4[c:12]3[cH:13][cH:14][c:15]([O:16][CH3:17])[cH:18]4)[C:19]1=[CH:20][CH2:21][C:22]21[O:23][CH2:24][CH2:25][O:26]1>O=C(O)O.[Ca+2].[Pd].c1ccccc1>[CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C:6]3=[C:7]([CH2:8][CH:9]([CH3:10])[c:11]4[c:12]3[cH:13][cH:14][c:15]([O:16][CH3:17])[cH:18]4)[C@@H:19]1[CH2:20][CH2:21][C:22]21[O:23][CH2:24][CH2:25][O:26]1 NSXRHMLDXZEORH-CEISFSOZSA-N>>IECFTMUDRNHSSY-FVPJBAHISA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@H;D3;+0:3]1-[C:11]-[C:6]2(-[#8:7]-[C:8]-[C:9]-[#8:10]-2)-[C:5]-[CH2;D2;+0:4]-1>>[C:1]=[C:2]-[C;H0;D3;+0:3]1=[CH;D2;+0:4]-[C:5]-[C:6]2(-[#8:7]-[C:8]-[C:9]-[#8:10]-2)-[C:11]-1 466fe429868c1680f445abdb2b113eff55838ddb515f4d36066a0376a9caeaf1 [CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C@@H:6]3[c:7]4[c:8]([cH:9][c:10]([O:11][CH3:12])[cH:13][cH:14]4)[CH:15]([CH3:16])[CH2:17][C@H:18]3[C@@H:19]1[CH2:20][CH2:21][C:22]2=[O:23]>CC(=O)O.CO.O.B.Cl.[Na+].[Na+]>[CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C@@H:6]3[c:7]4[c:8]([cH:9][c:10]([O:11][CH3:12])[cH:13][cH:14]4)[CH:15]([CH3:16])[CH2:17][C@H:18]3[C@@H:19]1[CH2:20][CH2:21][C@@H:22]2[OH:23] NJYWNINESHRYIR-LSHBMACZSA-N>>JFUHMPFMBICWJL-KQXNZBRJSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C:6]3=[C:18]([CH2:17][CH:15]([CH3:16])[c:8]4[c:7]3[cH:14][cH:13][c:10]([O:11][CH3:12])[cH:9]4)[C@@H:19]1[CH2:20][CH2:21][C:22]21[O:23][CH2:24][CH2:25][O:26]1>C1CCOC1.N.Nc1ccccc1.[Li]>[CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C@@H:6]3[c:7]4[c:8]([cH:9][c:10]([O:11][CH3:12])[cH:13][cH:14]4)[CH:15]([CH3:16])[CH2:17][C@H:18]3[C@@H:19]1[CH2:20][CH2:21][C:22]21[O:23][CH2:24][CH2:25][O:26]1 IECFTMUDRNHSSY-FVPJBAHISA-N>>CUOBJFSDBZPXOF-ZZCHGYQNSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[C@H;D3;+0:4](-[C:5])-[c:6]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[C;H0;D3;+0:4](-[C:5])-[c:6] 10343437b48677ca58f20cd807a719af439eee956b609c7361d76381aa691fcf C[O:14][C:13]1=[CH:15][CH2:16][C:17]2=[C:11]([CH2:10][CH2:9][C@H:8]3[C@@H:7]4[CH2:6][CH2:5][C@:3]([CH2:2][CH3:1])([OH:4])[C@@:21]4([CH3:22])[CH2:20][CH2:19][C@@H:18]32)[CH2:12]1>CO.Cl.O>[CH3:1][CH2:2][C@:3]1([OH:4])[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C:11]4=[CH:12][C:13](=[O:14])[CH2:15][CH2:16][C@@H:17]4[C@H:18]3[CH2:19][CH2:20][C@:21]12[CH3:22] ZTAMFDGQZKZGEM-MJCUULBUSA-N>>ZDHCJEIGTNNEMY-XGXHKTLJSA-N 0.0 Unrecognized False substrate controlled False [C:8]-[C;H0;D3;+0:7]1=[CH;D2;+0:9]-[C;H0;D3;+0:2](=[O;H0;D1;+0:1])-[CH2;D2;+0:3]-[C:4]-[C@@H;D3;+0:5]-1-[C:6]>>C-[O;H0;D2;+0:1]-[C;H0;D3;+0:2]1=[CH;D2;+0:3]-[C:4]-[C;H0;D3;+0:5](-[C:6])=[C;H0;D3;+0:7](-[C:8])-[CH2;D2;+0:9]-1 c53460fddee8c36516c258351546efc0b2b4e8c5e9838b59136a2ca8c03e9a0f C[O:15][c:14]1[cH:13][c:12]2[c:18]([cH:17][cH:16]1)[C@@H:19]1[C@H:9]([C@@H:8]3[CH2:7][CH2:6][C@H:5]([O:4][CH2:3][CH2:2][CH3:1])[C@@:22]3([CH2:23][CH3:24])[CH2:21][CH2:20]1)[CH2:10][CH2:11]2>COCC(C)O.COCCOC.N.O.Cl.[Li].N>[CH3:1][CH2:2][CH2:3][O:4][C@H:5]1[CH2:6][CH2:7][C@H:8]2[C@@H:9]3[CH2:10][CH2:11][C:12]4=[CH:13][C:14](=[O:15])[CH2:16][CH2:17][C@@H:18]4[C@H:19]3[CH2:20][CH2:21][C@:22]12[CH2:23][CH3:24] FZSHTGYWDXMSPM-VROINQGHSA-N>>WMDDTFSPKGFZRX-ZCPXKWAGSA-N 0.0 Unrecognized False substrate controlled False [C:5]-[C;H0;D3;+0:4]1=[CH;D2;+0:3]-[C;H0;D3;+0:2](=[O;H0;D1;+0:1])-[CH2;D2;+0:9]-[CH2;D2;+0:8]-[C@@H;D3;+0:6]-1-[C:7]>>C-[O;H0;D2;+0:1]-[c;H0;D3;+0:2]1:[cH;D2;+0:3]:[c;H0;D3;+0:4](-[C:5]):[c;H0;D3;+0:6](-[C:7]):[cH;D2;+0:8]:[cH;D2;+0:9]:1 5e8b1148b30b2f7a25f0d28268fafd52bfc0593ed957b948dd1330a0bd870622 [CH3:1][C@:2]12[CH2:3][C@H:4]([F:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C:10]4=[CH:11][C:12](=[O:13])[CH2:14][CH2:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C:21]2=[O:22]>C1CCOC1.CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C.[HH].[Li+]>[CH3:1][C@:2]12[CH2:3][C@H:4]([F:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C:10]4=[CH:11][C:12](=[O:13])[CH2:14][CH2:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[OH:22] QAOIYWFJLYVFGK-KCZNZURUSA-N>>CPCDRHZFENPXNU-SLMGBJJTSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C@:2]12[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C@H:10]4[CH2:11][C:12](=[O:13])[CH2:14][CH2:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[C:22](=[O:23])[CH2:24][O:25][CH2:26][CH2:27][C:28]#[N:29]>Cl.Cl.Cl[Ir](Cl)(Cl)Cl.O>[CH3:1][C@:2]12[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C@H:10]4[CH2:11][C@H:12]([OH:13])[CH2:14][CH2:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[C:22](=[O:23])[CH2:24][O:25][CH2:26][CH2:27][C:28]#[N:29] PZUYVVKHCKVRQJ-LLWVJPNKSA-N>>HCNURFNSTRFBCO-BBVPJFDGSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C@:2]12[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C@H:10]4[CH2:11][C:12](=[O:13])[CH2:14][CH2:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[C:22](=[O:23])[CH2:24][O:25][CH2:26][CH2:27][CH2:28][Cl:29]>Cl.Cl.Cl[Ir](Cl)(Cl)Cl.O>[CH3:1][C@:2]12[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C@H:10]4[CH2:11][C@H:12]([OH:13])[CH2:14][CH2:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[C:22](=[O:23])[CH2:24][O:25][CH2:26][CH2:27][CH2:28][Cl:29] QMSZBYBPCBYESI-LLWVJPNKSA-N>>YUOFOGPDKVLIEH-BBVPJFDGSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C@H:6]([OH:7])/[CH:8]=[CH:9]/[C@H:10]1[C@H:11]([OH:12])[CH2:13][C:14](=[O:15])[C@@H:16]1[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][C:23](=[O:24])[OH:25]>CC(=O)O.CC(C)=O.CO.B.[Na+]>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C@H:6]([OH:7])/[CH:8]=[CH:9]/[C@H:10]1[C@H:11]([OH:12])[CH2:13][C@H:14]([OH:15])[C@@H:16]1[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][C:23](=[O:24])[OH:25] GMVPRGQOIOIIMI-DWKJAMRDSA-N>>DZUXGQBLFALXCR-CDIPTNKSSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C@H:6]([OH:7])/[CH:8]=[CH:9]/[C@H:10]1[C@H:11]([OH:12])[CH2:13][C:14](=[O:15])[C@@H:16]1[CH2:17]/[CH:18]=[CH:19]\[CH2:20][CH2:21][CH2:22][C:23](=[O:24])[OH:25]>C1CCOC1.C[Si](C)(C)Cl.C[Si](C)(C)N[Si](C)(C)C>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C@H:6]([OH:7])/[CH:8]=[CH:9]/[C@H:10]1[C@H:11]([OH:12])[CH2:13][C@H:14]([OH:15])[C@@H:16]1[CH2:17]/[CH:18]=[CH:19]\[CH2:20][CH2:21][CH2:22][C:23](=[O:24])[OH:25] XEYBRNLFEZDVAW-ARSRFYASSA-N>>PXGPLTODNUVGFL-YNNPMVKQSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C@:2]12[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C@H:10]4[CH2:11][C:12](=[O:13])[CH2:14][CH2:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[C:22](=[O:23])[CH2:24][N:25]1[CH2:26][CH2:27][O:28][CH2:29][CH2:30]1>O>[CH3:1][C@:2]12[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C@H:10]4[CH2:11][C@H:12]([OH:13])[CH2:14][CH2:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[C:22](=[O:23])[CH2:24][N:25]1[CH2:26][CH2:27][O:28][CH2:29][CH2:30]1 FFHIDSRFKNEHDS-NKYVDBPTSA-N>>QHWCHVZPGHFVLU-PDHDMTPESA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH:1]#[CH:2].[C:3]1(=[O:4])[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C:11]4=[CH:12][C:13](=[O:14])[CH2:15][CH2:16][C@@H:17]4[C@H:18]3[CH2:19][CH2:20][C@:21]12[CH2:22][CH3:23]>CC(C)=O.N.[K+].[K+]>[CH:1]#[C:2][C@:3]1([OH:4])[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C:11]4=[CH:12][C:13](=[O:14])[CH2:15][CH2:16][C@@H:17]4[C@H:18]3[CH2:19][CH2:20][C@:21]12[CH2:22][CH3:23] HSFWRNGVRCDJHI-UHFFFAOYSA-N.SBLHOJQRZNGHLQ-ATIFRJIPSA-N>>WWYNJERNGUHSAO-XUDSTZEESA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@;H0;D4;+0:4](-[C:5])(-[OH;D1;+0:6])-[C;H0;D2;+0:2]#[C;D1;H1:1]>>[C;D1;H1:1]#[CH;D1;+0:2].[C:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 8104d78889a291ce07e1e8832d914a004d1bae693e6a56e08d7d7a5cf3b0db63 [CH:1]#[C:2][C@:3]1([O:4][C:5]([CH3:6])=[O:7])[C@@H:8]2[CH2:9][C@@H:10]2[C@H:11]2[C@@H:12]3[CH2:13][CH2:14][C:15]4=[CH:16][C:17](=[O:18])[CH2:19][CH2:20][C@@H:21]4[C@H:22]3[CH2:23][CH2:24][C@:25]12[CH2:26][CH3:27]>C1CCOC1.[Li]>[CH:1]#[C:2][C@:3]1([O:4][C:5]([CH3:6])=[O:7])[C@@H:8]2[CH2:9][C@@H:10]2[C@H:11]2[C@@H:12]3[CH2:13][CH2:14][C:15]4=[CH:16][C@@H:17]([OH:18])[CH2:19][CH2:20][C@@H:21]4[C@H:22]3[CH2:23][CH2:24][C@:25]12[CH2:26][CH3:27] JRHVFYAQIHTIQG-JPNGFMFNSA-N>>QTUPYZJCYQCGNO-IFJPEEOZSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[C:1]=[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 3d438d587d87521e60f8311dfb4f60605630598ea592a8172db481577c2b213e [CH3:1][CH2:2][C:3](=[O:4])[C@H:5]1[CH2:6][CH2:7][C@H:8]2[C@@H:9]3[CH2:10][CH2:11][C@H:12]4[CH2:13][C:14](=[O:15])[CH2:16][CH2:17][C@:18]4([CH3:19])[C@H:20]3[C:21](=[O:22])[CH2:23][C@:24]12[CH3:25]>Cl.Cl.Cl[Ir](Cl)(Cl)Cl.O>[CH3:1][CH2:2][C:3](=[O:4])[C@H:5]1[CH2:6][CH2:7][C@H:8]2[C@@H:9]3[CH2:10][CH2:11][C@H:12]4[CH2:13][C@H:14]([OH:15])[CH2:16][CH2:17][C@:18]4([CH3:19])[C@H:20]3[C:21](=[O:22])[CH2:23][C@:24]12[CH3:25] IIVXJKHKYWIYAQ-OKTVHJJWSA-N>>HHDVDIHXKUVPAR-DVLUUPELSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 C[O:13][C:12]1=[CH:11][CH2:10][C:9]2=[C:15]([CH2:14]1)[CH2:16][CH2:17][C@@H:18]1[C@@H:8]2[CH2:7][CH2:6][C@@:5]2([CH2:4][CH2:3][CH2:2][CH3:1])[C@H:19]1[CH2:20][CH2:21][C@@H:22]2[OH:23]>CO.Cl.O>[CH3:1][CH2:2][CH2:3][CH2:4][C@:5]12[CH2:6][CH2:7][C@@H:8]3[C@H:9]4[CH2:10][CH2:11][C:12](=[O:13])[CH:14]=[C:15]4[CH2:16][CH2:17][C@H:18]3[C@@H:19]1[CH2:20][CH2:21][C@@H:22]2[OH:23] FWDSSGFHCBICCY-AANPDWTMSA-N>>FEPLBECCOYCOSL-XUDSTZEESA-N 0.0 Unrecognized False substrate controlled False [C:8]-[C;H0;D3;+0:7]1=[CH;D2;+0:9]-[C;H0;D3;+0:2](=[O;H0;D1;+0:1])-[CH2;D2;+0:3]-[C:4]-[C@@H;D3;+0:5]-1-[C:6]>>C-[O;H0;D2;+0:1]-[C;H0;D3;+0:2]1=[CH;D2;+0:3]-[C:4]-[C;H0;D3;+0:5](-[C:6])=[C;H0;D3;+0:7](-[C:8])-[CH2;D2;+0:9]-1 c53460fddee8c36516c258351546efc0b2b4e8c5e9838b59136a2ca8c03e9a0f C[O:14][c:13]1[cH:12][c:11]2[c:17]([cH:16][cH:15]1)[C@@H:18]1[C@H:8]([C@@H:7]3[CH2:6][CH2:5][C@H:4]([O:3][CH2:2][CH3:1])[C@@:21]3([CH2:22][CH3:23])[CH2:20][CH2:19]1)[CH2:9][CH2:10]2>COCC(C)O.COCCOC.N.[Li]>[CH3:1][CH2:2][O:3][C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C:11]4=[CH:12][C:13](=[O:14])[CH2:15][CH2:16][C@@H:17]4[C@H:18]3[CH2:19][CH2:20][C@:21]12[CH2:22][CH3:23] CSNHUVCXMMPRJU-AANPDWTMSA-N>>RAUXHOQBWWUYKI-XUDSTZEESA-N 0.0 Unrecognized False substrate controlled False [C:5]-[C;H0;D3;+0:4]1=[CH;D2;+0:3]-[C;H0;D3;+0:2](=[O;H0;D1;+0:1])-[CH2;D2;+0:9]-[CH2;D2;+0:8]-[C@@H;D3;+0:6]-1-[C:7]>>C-[O;H0;D2;+0:1]-[c;H0;D3;+0:2]1:[cH;D2;+0:3]:[c;H0;D3;+0:4](-[C:5]):[c;H0;D3;+0:6](-[C:7]):[cH;D2;+0:8]:[cH;D2;+0:9]:1 5e8b1148b30b2f7a25f0d28268fafd52bfc0593ed957b948dd1330a0bd870622 [CH3:1][C:2](=[O:3])[O:4][CH2:5][C@:6]12[CH2:7][CH2:8][C:9](=[O:10])[CH:11]=[C:12]1[CH2:13][CH2:14][C@@H:15]1[C@@H:16]2[CH2:17][CH2:18][C@:19]2([CH3:20])[C:21](=[O:22])[CH2:23][CH2:24][C@@H:25]12>CC(=O)O.CO.B.[Na+]>[CH3:1][C:2](=[O:3])[O:4][CH2:5][C@:6]12[CH2:7][CH2:8][C:9](=[O:10])[CH:11]=[C:12]1[CH2:13][CH2:14][C@@H:15]1[C@@H:16]2[CH2:17][CH2:18][C@:19]2([CH3:20])[C@@H:21]([OH:22])[CH2:23][CH2:24][C@@H:25]12 KKFHRGQSMZGPJK-OAGDOXAWSA-N>>DFQGPOKILWGVLP-HXIANDDZSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d I[CH2:14]I.[CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH:8]=[C:9]4[CH2:10][C@@H:11]([OH:12])[CH:13]=[CH:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[OH:22]>CCOCC.COCCOC.[Cu].[Zn]>[CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH:8]=[C:9]4[CH2:10][C@@H:11]([OH:12])[C@H:13]5[CH2:14][C@H:15]5[C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[OH:22] NZZFYRREKKOMAT-UHFFFAOYSA-N.YSWCDALAVUOINT-LOVVWNRFSA-N>>YYPMOUAYFOSXEE-GTPJIZKXSA-N 0.0 Unrecognized True substrate controlled False [C@@H;D3;+0:2]1-[C@@H;D3;+0:3]-[CH2;D2;+0:1]-1>>I-[CH2;D2;+0:1]-I.[CH;D2;+0:2]=[CH;D2;+0:3] 20497e817010d7eda8f84581192f97917497af5a58f162c260868cd9705967b8 [CH3:1][C@H:2]1[CH2:3][CH2:4][CH2:5][C:6](=[O:7])[CH2:8][CH2:9][CH2:10][CH:11]=[CH:12][c:13]2[cH:14][c:15]([OH:16])[cH:17][c:18]([OH:19])[c:20]2[C:21](=[O:22])[O:23]1>CO.B.[Na+]>[CH3:1][C@H:2]1[CH2:3][CH2:4][CH2:5][C@H:6]([OH:7])[CH2:8][CH2:9][CH2:10][CH:11]=[CH:12][c:13]2[cH:14][c:15]([OH:16])[cH:17][c:18]([OH:19])[c:20]2[C:21](=[O:22])[O:23]1 MBMQEIFVQACCCH-LBPRGKRZSA-N>>FPQFYIAXQDXNOR-GXTWGEPZSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C:2]([CH3:3])([CH3:4])[C:5](=[O:6])[O:7][C@H:8]1[CH2:9][CH2:10][C:11]2=[C:12]3[CH:13]=[CH:14][C:15]4=[CH:16][C:17](=[O:18])[CH2:19][CH2:20][C@:21]4([CH2:22][OH:23])[C@H:24]3[CH2:25][CH2:26][C@:27]12[CH3:28]>CC(=O)O.CO.O.O=C(O)O.B.[Na+].[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[C:5](=[O:6])[O:7][C@H:8]1[CH2:9][CH2:10][C:11]2=[C:12]3[CH:13]=[CH:14][C:15]4=[CH:16][C@@H:17]([OH:18])[CH2:19][CH2:20][C@:21]4([CH2:22][OH:23])[C@H:24]3[CH2:25][CH2:26][C@:27]12[CH3:28] JLWXIGCRGVUAFQ-NVXDSCFRSA-N>>DYWZMUYGZVRRQA-IAUWXRHWSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[C:1]=[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 3d438d587d87521e60f8311dfb4f60605630598ea592a8172db481577c2b213e [CH3:1][CH:2]([CH3:3])[C@@H:4]1[CH2:5][CH2:6][C@@H:7]([CH3:8])[CH2:9][C:10]1=[O:11]>CC1=CC(=O)C(C(C)C)CC1>[CH3:1][CH:2]([CH3:3])[C@@H:4]1[CH2:5][CH2:6][C@@H:7]([CH3:8])[CH2:9][C@H:10]1[OH:11] NFLGAXVYCFJBMK-BDAKNGLRSA-N>>NOOLISFMXDJSKH-KXUCPTDWSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH2:8][C:9]4=[CH:10][C:11](=[O:12])[CH2:13][CH2:14][C@:15]34[CH2:16][O:17][Si:18]([CH3:19])([CH3:20])[CH3:21])[C@@H:22]1[CH2:23][CH2:24][C@@H:25]2[O:26][Si:27]([CH3:28])([CH3:29])[CH3:30]>C1CCOC1.CO.COC(OC)OC.Cc1ccc(S(=O)(=O)O)cc1>[CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH2:8][C@H:9]4[CH2:10][C:11](=[O:12])[CH2:13][CH2:14][C@:15]34[CH2:16][O:17][Si:18]([CH3:19])([CH3:20])[CH3:21])[C@@H:22]1[CH2:23][CH2:24][C@@H:25]2[O:26][Si:27]([CH3:28])([CH3:29])[CH3:30] ZWHVCXZCGRLGAM-QXMOZHRRSA-N>>ZPTNHSLORNQPDP-JDKXXNDASA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[CH2;D2;+0:4]-[C:5]=[O;D1;H0:6]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[CH;D2;+0:4]-[C:5]=[O;D1;H0:6] 9182058add2a31e71953c59da91495e91a73b68dc14a14f3396d80a99aae5acd C[S+](C)(=O)[CH3:17].[CH3:1][C:2](=[O:3])[C@@:4]1([OH:5])[CH2:6][CH2:7][C@H:8]2[C@@H:9]3[CH:10]=[CH:11][C:12]4=[CH:13][C:14](=[O:15])[CH:16]=[CH:18][C@:19]4([CH3:20])[C@H:21]3[C@@H:22]([F:23])[CH2:24][C@:25]12[CH3:26]>CS(C)=O.I.[Na+].O>[CH3:1][C:2](=[O:3])[C@@:4]1([OH:5])[CH2:6][CH2:7][C@H:8]2[C@@H:9]3[CH:10]=[CH:11][C:12]4=[CH:13][C:14](=[O:15])[C@@H:16]5[CH2:17][C@@H:18]5[C@:19]4([CH3:20])[C@H:21]3[C@@H:22]([F:23])[CH2:24][C@:25]12[CH3:26] UKEJDIJNWMUVEA-UJPCIWJBSA-N.YRYSAWZMIRQUBO-UHFFFAOYSA-N>>ZJHJFPXMQISCLR-VTYMMEHPSA-N 0.0 Unrecognized True substrate controlled False [C@H;D3;+0:2]1-[C@H;D3;+0:3]-[CH2;D2;+0:1]-1>>C-[S+](-C)(=O)-[CH3;D1;+0:1].[CH;D2;+0:2]=[CH;D2;+0:3] 1bb40cf2de8afd30075f7d91d1dd3f655a9c9510bde1e422f481bb551980dd51 [CH:1]#[C:2][C@:3]1([O:4][C:5]([CH3:6])=[O:7])[CH:8]=[CH:9][C@H:10]2[C@@H:11]3[CH2:12][CH2:13][C:14]4=[CH:15][C:16](=[O:17])[CH2:18][CH2:19][C@@H:20]4[C@H:21]3[CH2:22][CH2:23][C@:24]12[CH2:25][CH3:26]>C1CCOC1.CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C.CC(C)=O.CCCCCC.O=S(=O)(O)O.[HH].[Li+]>[CH:1]#[C:2][C@:3]1([O:4][C:5]([CH3:6])=[O:7])[CH:8]=[CH:9][C@H:10]2[C@@H:11]3[CH2:12][CH2:13][C:14]4=[CH:15][C@@H:16]([OH:17])[CH2:18][CH2:19][C@@H:20]4[C@H:21]3[CH2:22][CH2:23][C@:24]12[CH2:25][CH3:26] LOSTYGORRFXVOZ-GOMYTPFNSA-N>>APJOTHVZOKJTKV-JSXDIISVSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[C:1]=[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 3d438d587d87521e60f8311dfb4f60605630598ea592a8172db481577c2b213e [CH3:1][C@@H:2]1[CH2:3][C:4]2=[CH:5][C:6](=[O:7])[CH2:8][CH2:9][C@:10]2([CH2:11][OH:12])[C@H:13]2[CH2:14][CH2:15][C@:16]3([CH3:17])[C@@H:18]([OH:19])[CH2:20][CH2:21][C@H:22]3[C@H:23]12>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.O=C(O)O.OO.[K+].[K+].[K+].[Na+].O>[CH3:1][C@@H:2]1[CH2:3][C:4]2=[CH:5][C@H:6]([OH:7])[CH2:8][CH2:9][C@:10]2([CH2:11][OH:12])[C@H:13]2[CH2:14][CH2:15][C@:16]3([CH3:17])[C@@H:18]([OH:19])[CH2:20][CH2:21][C@H:22]3[C@H:23]12 YVWCIALJUSNIQX-AMFWULORSA-N>>VHDGZNRQGZHPQF-ZGMVOIFJSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[C:1]=[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 30b58d787d9916ad48be3323fde35e4d1c60b573ffde717577d2f36c035f619a [CH3:1][C@H:2]1[CH2:3][C:4](=[O:5])[CH:6]=[C:7]2[CH2:8][CH2:9][C@H:10]3[C@@H:11]4[CH2:12][CH2:13][C@H:14]([OH:15])[C@@:16]4([CH3:17])[CH2:18][CH2:19][C@@H:20]3[C@@:21]12[CH2:22][OH:23]>CC(=O)O.CCO.B.[Na+]>[CH3:1][C@H:2]1[CH2:3][C@H:4]([OH:5])[CH:6]=[C:7]2[CH2:8][CH2:9][C@H:10]3[C@@H:11]4[CH2:12][CH2:13][C@H:14]([OH:15])[C@@:16]4([CH3:17])[CH2:18][CH2:19][C@@H:20]3[C@@:21]12[CH2:22][OH:23] QQTOWOCTXIWNFU-IFMMWYRXSA-N>>NKOGKAYNJBRPAT-XNMNPEGYSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]=[C:5]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]=[C:5] 30b58d787d9916ad48be3323fde35e4d1c60b573ffde717577d2f36c035f619a [CH3:1][O:2][c:3]1[c:4]2[c:15]3[c:14]([cH:21][cH:22]1)[CH2:13][C@@H:12]1[C@@H:11]4[CH2:10][CH2:9][C:7](=[O:8])[C@H:6]([O:5]2)[C@@:16]43[CH2:17][CH2:18][N:19]1[CH3:20]>CCO.CO.N#N.N=C(N)S(=O)O.[Na+].O>[CH3:1][O:2][c:3]1[c:4]2[c:15]3[c:14]([cH:21][cH:22]1)[CH2:13][C@@H:12]1[C@@H:11]4[CH2:10][CH2:9][C@@H:7]([OH:8])[C@H:6]([O:5]2)[C@@:16]43[CH2:17][CH2:18][N:19]1[CH3:20] LLPOLZWFYMWNKH-CMKMFDCUSA-N>>RBOXVHNMENFORY-KEMUOJQUSA-N 0.0 Unrecognized False substrate controlled False [#8:1]-[C:2]-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#8:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 1916be9ef8bda8c20f0bed2e6fd545bbb800c548e04828ab535e0fdf6488907c [CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([c:7]([O:8][C:9]([CH3:10])=[O:11])[cH:12]1)[C@H:13]1[CH2:14][CH2:15][C@:16]3([CH3:17])[C:18](=[O:19])[CH2:20][CH2:21][C@H:22]3[C@@H:23]1[CH2:24][CH2:25]2>CCO.O=[Pt]=O>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([c:7]([O:8][C:9]([CH3:10])=[O:11])[cH:12]1)[C@H:13]1[CH2:14][CH2:15][C@:16]3([CH3:17])[C@@H:18]([OH:19])[CH2:20][CH2:21][C@H:22]3[C@@H:23]1[CH2:24][CH2:25]2 XCLIOIQRHLZGTG-JJDSTIRJSA-N>>BDLBRLKLQQGTPL-ILOFHEBLSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([c:7]([O:8][CH3:9])[cH:10]1)[C@H:11]1[CH2:12][CH2:13][C@:14]3([CH3:15])[C:16](=[O:17])[CH2:18][CH2:19][C@H:20]3[C@@H:21]1[CH2:22][CH2:23]2>C1CCOC1.CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C.O.[HH].[Li+]>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([c:7]([O:8][CH3:9])[cH:10]1)[C@H:11]1[CH2:12][CH2:13][C@:14]3([CH3:15])[C@@H:16]([OH:17])[CH2:18][CH2:19][C@H:20]3[C@@H:21]1[CH2:22][CH2:23]2 CATRBDGUOJQEKS-OLPIVMHESA-N>>KLVHUADOLNKJGG-MHUJFGSKSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH2:8][C:9]4=[CH:10][C:11](=[O:12])[C@@H:13]5[CH2:14][C@@H:15]5[C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C:21]2=[O:22]>CCO.O=P(O)(O)O.B.[Na+].[Na+]>[CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH2:8][C:9]4=[CH:10][C:11](=[O:12])[C@@H:13]5[CH2:14][C@@H:15]5[C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[OH:22] REKDAROYIZHLKJ-WGBDHRSASA-N>>QDQKYVJKPZFPPO-CFEARBHASA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C@:2]12[CH2:3][C@H:4]([Cl:5])[C@@H:6]([OH:7])[CH2:8][C@@H:9]1[CH2:10][CH2:11][C@@H:12]1[C@@H:13]2[CH2:14][CH2:15][C@@:16]2([CH3:17])[C@H:18]1[CH2:19][C@H:20]([N:21]1[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]1)[C:27]2=[O:28]>CO.Cl.ClCCl.B.[Na+].[Na+].O>[CH3:1][C@:2]12[CH2:3][C@H:4]([Cl:5])[C@@H:6]([OH:7])[CH2:8][C@@H:9]1[CH2:10][CH2:11][C@@H:12]1[C@@H:13]2[CH2:14][CH2:15][C@@:16]2([CH3:17])[C@H:18]1[CH2:19][C@H:20]([N:21]1[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]1)[C@@H:27]2[OH:28] HCDOUHZXWPUILO-HJJAKBBJSA-N>>ABRRZFGLBSZQRW-MTQBXMTJSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][N:2]1[CH2:3][CH2:4][N:5]([C@H:6]2[CH2:7][C@H:8]3[C@@H:9]4[CH2:10][CH2:11][C@H:12]5[CH2:13][C@@H:14]6[O:15][C@@H:16]6[CH2:17][C@:18]5([CH3:19])[C@H:20]4[CH2:21][CH2:22][C@:23]3([CH3:24])[C:25]2=[O:26])[CH2:27][CH2:28]1>CO.ClCCl.B.[Na+]>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([C@H:6]2[CH2:7][C@H:8]3[C@@H:9]4[CH2:10][CH2:11][C@H:12]5[CH2:13][C@@H:14]6[O:15][C@@H:16]6[CH2:17][C@:18]5([CH3:19])[C@H:20]4[CH2:21][CH2:22][C@:23]3([CH3:24])[C@H:25]2[OH:26])[CH2:27][CH2:28]1 WQEDUBVACZSMCO-XZWPYBQFSA-N>>LMLLOBJSZZIGOW-OZTOUPOJSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C@H:2]1[CH2:3][C:4](=[O:5])[CH2:6][C:7]2=[CH:8][CH2:9][C@H:10]3[C@@H:11]4[CH2:12][CH2:13][C@H:14]([OH:15])[C@@:16]4([CH3:17])[CH2:18][CH2:19][C@@H:20]3[C@@:21]12[CH2:22][OH:23]>C1CCOC1.O=C(O)C(O)C(O)C(=O)O.[Al+3].[HH].[HH].[HH].[HH].[K+].[Li+].[Na+]>[CH3:1][C@H:2]1[CH2:3][C@H:4]([OH:5])[CH2:6][C:7]2=[CH:8][CH2:9][C@H:10]3[C@@H:11]4[CH2:12][CH2:13][C@H:14]([OH:15])[C@@:16]4([CH3:17])[CH2:18][CH2:19][C@@H:20]3[C@@:21]12[CH2:22][OH:23] XZZWRDHRRABSHR-IFMMWYRXSA-N>>WVHLMXXZRQQYCD-XNMNPEGYSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5]=[C:6]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5]=[C:6] 50cd10b3d6b4f03ab6424f91d9524fcff15cd23631f08c87cf3fcb5fa027c4ee I[CH2:14]I.[CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH:8]=[C:9]4[CH2:10][C@@H:11]([OH:12])[CH:13]=[CH:15][C@:16]34[CH2:17][O:18][CH:19]3[CH2:20][CH2:21][CH2:22][CH2:23][O:24]3)[C@@H:25]1[CH2:26][CH2:27][C@@H:28]2[OH:29]>CCOCC.COCCOC.[Cu].[Zn]>[CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH:8]=[C:9]4[CH2:10][C@@H:11]([OH:12])[C@H:13]5[CH2:14][C@H:15]5[C@:16]34[CH2:17][O:18][CH:19]3[CH2:20][CH2:21][CH2:22][CH2:23][O:24]3)[C@@H:25]1[CH2:26][CH2:27][C@@H:28]2[OH:29] HPRVWEGIQQTVPN-QMSRAGSTSA-N.NZZFYRREKKOMAT-UHFFFAOYSA-N>>DWNYIUWWUWWMTI-WLAFPTHCSA-N 0.0 Unrecognized True substrate controlled False [C@@H;D3;+0:2]1-[C@@H;D3;+0:3]-[CH2;D2;+0:1]-1>>I-[CH2;D2;+0:1]-I.[CH;D2;+0:2]=[CH;D2;+0:3] 20497e817010d7eda8f84581192f97917497af5a58f162c260868cd9705967b8 [CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH:8]=[C:9]4[CH2:10][C:11](=[O:12])[CH2:13][CH2:14][C@:15]34[CH2:16][OH:17])[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[OH:22]>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.O=C(O)O.OO.[K+].[K+].[Li+].[Na+].O>[CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH:8]=[C:9]4[CH2:10][C@H:11]([OH:12])[CH2:13][CH2:14][C@:15]34[CH2:16][OH:17])[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[OH:22] DBQMFEDXDNQHQE-KOUJMVCDSA-N>>KPTQFNUKAKVGSS-WREXDLNZSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5]=[C:6]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5]=[C:6] a151f5e9b802151b9faa8b0e95d37e4b20ecdf5020ffa32b2705f9b7a2e484eb [CH3:1][C@@H:2]1[CH:3]=[C:4]2[CH2:5][C:6](=[O:7])[CH2:8][CH2:9][C@:10]2([CH2:11][OH:12])[C@H:13]2[CH2:14][CH2:15][C@:16]3([CH3:17])[C@@H:18]([OH:19])[CH2:20][CH2:21][C@H:22]3[C@H:23]12>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.O=C(O)O.OO.[K+].[K+].[K+].[Na+].O>[CH3:1][C@@H:2]1[CH:3]=[C:4]2[CH2:5][C@H:6]([OH:7])[CH2:8][CH2:9][C@:10]2([CH2:11][OH:12])[C@H:13]2[CH2:14][CH2:15][C@:16]3([CH3:17])[C@@H:18]([OH:19])[CH2:20][CH2:21][C@H:22]3[C@H:23]12 UJPQQVHININZET-AMFWULORSA-N>>FDBAFIDKKCUXCN-ZGMVOIFJSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C:3]-[C@@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[C:1]=[C:2]-[C:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 50cd10b3d6b4f03ab6424f91d9524fcff15cd23631f08c87cf3fcb5fa027c4ee [CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH:9]1[CH2:10][CH2:11][C@@:12]2([CH2:13][OH:14])[C:15](=[CH:16][CH2:17][C@@H:18]3[C@@H:19]2[CH2:20][CH2:21][C@:22]2([CH3:23])[C:24](=[O:25])[CH2:26][CH2:27][C@@H:28]32)[CH2:29]1>CC(=O)O.CC(=O)O>[CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH:9]1[CH2:10][CH2:11][C@@:12]2([CH2:13][OH:14])[C:15](=[CH:16][CH2:17][C@@H:18]3[C@@H:19]2[CH2:20][CH2:21][C@:22]2([CH3:23])[C@@H:24]([OH:25])[CH2:26][CH2:27][C@@H:28]32)[CH2:29]1 IGRPIQDYJYEMOP-PAIGHBAGSA-N>>KPOQHLSNCQQBPH-INWMTOONSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d O[C@@H:13]([CH:11]=[O:12])[C@@H:16]([OH:17])[C@H:18]([OH:19])[C@@H:20]([CH2:14][OH:15])[OH:21].[C:5](=[O:6])=[N:7][CH2:8][CH2:9][Cl:10].[CH3:1][CH:2]([CH3:3])[NH2:4]>>[CH3:1][CH:2]([CH3:3])[N:4]([C:5](=[O:6])[NH:7][CH2:8][CH2:9][Cl:10])[CH:11]1[O:12][C@H:13]([CH2:14][OH:15])[C@@H:16]([OH:17])[C@H:18]([OH:19])[C@H:20]1[OH:21] BCMYXYHEMGPZJN-UHFFFAOYSA-N.GZCGUPFRVQAUEE-SLPGGIOYSA-N.JJWLVOIRVHMVIS-UHFFFAOYSA-N>>XCBYMLAWIFZZEH-YBTJCZCISA-N 0.0 Unrecognized True stereospecific False [NH;D2;+0:10]-[C;H0;D3;+0:11](=[O;H0;D1;+0:12])-[N;H0;D3;+0:13]-[CH;D3;+0:8]1-[O;H0;D2;+0:9]-[C@H;D3;+0:1](-[CH2;D2;+0:6]-[OH;D1;+0:7])-[C@@H;D3;+0:2]-[C@H;D3;+0:3]-[C@H;D3;+0:4]-1-[OH;D1;+0:5]>>O-[C@H;D3;+0:1](-[C@H;D3;+0:2]-[C@H;D3;+0:3]-[C@H;D3;+0:4](-[OH;D1;+0:5])-[CH2;D2;+0:6]-[OH;D1;+0:7])-[CH;D2;+0:8]=[O;H0;D1;+0:9].[N;H0;D2;+0:10]=[C;H0;D2;+0:11]=[O;H0;D1;+0:12].[NH2;D1;+0:13] d773cfda8c7e61778fdfb6e41bbec31dace342a57c2961e21146e8b5c89d2200 O[C@@H:14]([CH:12]=[O:13])[C@@H:17]([OH:18])[C@H:19]([OH:20])[C@@H:21]([CH2:15][OH:16])[OH:22].[C:6](=[O:7])=[N:8][CH2:9][CH2:10][Cl:11].[CH3:1][CH2:2][CH2:3][CH2:4][NH2:5]>>[CH3:1][CH2:2][CH2:3][CH2:4][N:5]([C:6](=[O:7])[NH:8][CH2:9][CH2:10][Cl:11])[CH:12]1[O:13][C@H:14]([CH2:15][OH:16])[C@@H:17]([OH:18])[C@H:19]([OH:20])[C@H:21]1[OH:22] BCMYXYHEMGPZJN-UHFFFAOYSA-N.GZCGUPFRVQAUEE-SLPGGIOYSA-N.HQABUPZFAYXKJW-UHFFFAOYSA-N>>IVLNKWYBJLWNKP-OZRWLHRGSA-N 0.0 Unrecognized True stereospecific False [NH;D2;+0:10]-[C;H0;D3;+0:11](=[O;H0;D1;+0:12])-[N;H0;D3;+0:13]-[CH;D3;+0:8]1-[O;H0;D2;+0:9]-[C@H;D3;+0:1](-[CH2;D2;+0:6]-[OH;D1;+0:7])-[C@@H;D3;+0:2]-[C@H;D3;+0:3]-[C@H;D3;+0:4]-1-[OH;D1;+0:5]>>O-[C@H;D3;+0:1](-[C@H;D3;+0:2]-[C@H;D3;+0:3]-[C@H;D3;+0:4](-[OH;D1;+0:5])-[CH2;D2;+0:6]-[OH;D1;+0:7])-[CH;D2;+0:8]=[O;H0;D1;+0:9].[N;H0;D2;+0:10]=[C;H0;D2;+0:11]=[O;H0;D1;+0:12].[NH2;D1;+0:13] d773cfda8c7e61778fdfb6e41bbec31dace342a57c2961e21146e8b5c89d2200 O[C@@H:15]([CH:13]=[O:14])[C@@H:18]([OH:19])[C@H:20]([OH:21])[C@@H:22]([CH2:16][OH:17])[OH:23].[C:7](=[O:8])=[N:9][CH2:10][CH2:11][Cl:12].[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][NH2:6]>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][N:6]([C:7](=[O:8])[NH:9][CH2:10][CH2:11][Cl:12])[CH:13]1[O:14][C@H:15]([CH2:16][OH:17])[C@@H:18]([OH:19])[C@H:20]([OH:21])[C@H:22]1[OH:23] BCMYXYHEMGPZJN-UHFFFAOYSA-N.DPBLXKKOBLCELK-UHFFFAOYSA-N.GZCGUPFRVQAUEE-SLPGGIOYSA-N>>CQWOKTGDJSWIHH-HENWMNBSSA-N 0.0 Unrecognized True stereospecific False [NH;D2;+0:10]-[C;H0;D3;+0:11](=[O;H0;D1;+0:12])-[N;H0;D3;+0:13]-[CH;D3;+0:8]1-[O;H0;D2;+0:9]-[C@H;D3;+0:1](-[CH2;D2;+0:6]-[OH;D1;+0:7])-[C@@H;D3;+0:2]-[C@H;D3;+0:3]-[C@H;D3;+0:4]-1-[OH;D1;+0:5]>>O-[C@H;D3;+0:1](-[C@H;D3;+0:2]-[C@H;D3;+0:3]-[C@H;D3;+0:4](-[OH;D1;+0:5])-[CH2;D2;+0:6]-[OH;D1;+0:7])-[CH;D2;+0:8]=[O;H0;D1;+0:9].[N;H0;D2;+0:10]=[C;H0;D2;+0:11]=[O;H0;D1;+0:12].[NH2;D1;+0:13] d773cfda8c7e61778fdfb6e41bbec31dace342a57c2961e21146e8b5c89d2200 O[C@@H:16]([CH:14]=[O:15])[C@@H:19]([OH:20])[C@H:21]([OH:22])[C@@H:23]([CH2:17][OH:18])[OH:24].[C:8](=[O:9])=[N:10][CH2:11][CH2:12][Cl:13].[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][NH2:7]>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][N:7]([C:8](=[O:9])[NH:10][CH2:11][CH2:12][Cl:13])[CH:14]1[O:15][C@H:16]([CH2:17][OH:18])[C@@H:19]([OH:20])[C@H:21]([OH:22])[C@H:23]1[OH:24] BCMYXYHEMGPZJN-UHFFFAOYSA-N.BMVXCPBXGZKUPN-UHFFFAOYSA-N.GZCGUPFRVQAUEE-SLPGGIOYSA-N>>HJYZQDSYNGGQQN-RQICVUQASA-N 0.0 Unrecognized True stereospecific False [NH;D2;+0:10]-[C;H0;D3;+0:11](=[O;H0;D1;+0:12])-[N;H0;D3;+0:13]-[CH;D3;+0:8]1-[O;H0;D2;+0:9]-[C@H;D3;+0:1](-[CH2;D2;+0:6]-[OH;D1;+0:7])-[C@@H;D3;+0:2]-[C@H;D3;+0:3]-[C@H;D3;+0:4]-1-[OH;D1;+0:5]>>O-[C@H;D3;+0:1](-[C@H;D3;+0:2]-[C@H;D3;+0:3]-[C@H;D3;+0:4](-[OH;D1;+0:5])-[CH2;D2;+0:6]-[OH;D1;+0:7])-[CH;D2;+0:8]=[O;H0;D1;+0:9].[N;H0;D2;+0:10]=[C;H0;D2;+0:11]=[O;H0;D1;+0:12].[NH2;D1;+0:13] d773cfda8c7e61778fdfb6e41bbec31dace342a57c2961e21146e8b5c89d2200 CS(=O)(=O)O[C@@H:21]1[C@@:2]2([CH3:1])[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C:10]4=[CH:11][C:12](=[O:13])[CH:14]=[CH:15][C@:16]34[CH3:17])[C@@H:18]2[CH2:19][CH2:20]1.[SH:22][CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>CCO.[Na]>[CH3:1][C@:2]12[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C:10]4=[CH:11][C:12](=[O:13])[CH:14]=[CH:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@H:21]2[S:22][CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1 NLXNFIRHDBFJIH-BEUOHLRXSA-N.UENWRTRMUIOCKN-UHFFFAOYSA-N>>PIFNKFZPXSBBRA-SASNSJNYSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3])-[S;H0;D2;+0:5]-[C:4]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3].[C:4]-[SH;D1;+0:5] 81dff9227863e3f37ff62cf1b33a191de8d047efd2b336f35e16b58676c56b91 CS(=O)(=O)O[C@@H:21]1[C@@:2]2([CH3:1])[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C:10]4=[CH:11][C:12](=[O:13])[CH:14]=[CH:15][C@:16]34[CH3:17])[C@@H:18]2[CH2:19][CH2:20]1.[SH:22][CH2:23][CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>CCO.[Na]>[CH3:1][C@:2]12[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C:10]4=[CH:11][C:12](=[O:13])[CH:14]=[CH:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@H:21]2[S:22][CH2:23][CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1 NLXNFIRHDBFJIH-BEUOHLRXSA-N.ZMRFRBHYXOQLDK-UHFFFAOYSA-N>>IFVPIDGDWGJNFB-XISQYIGNSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3])-[S;H0;D2;+0:5]-[C:4]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3].[C:4]-[SH;D1;+0:5] 81dff9227863e3f37ff62cf1b33a191de8d047efd2b336f35e16b58676c56b91 CS(=O)(=O)O[C@H:3]1[CH2:4][CH2:5][C@H:6]2[C@@H:7]3[CH2:8][CH2:9][C:10]4=[CH:11][C:12](=[O:13])[CH:14]=[CH:15][C@:16]4([CH3:17])[C@H:18]3[C:19](=[O:20])[CH2:21][C@:22]12[CH3:23].[CH3:1][SH:2]>CCO.[Na]>[CH3:1][S:2][C@@H:3]1[CH2:4][CH2:5][C@H:6]2[C@@H:7]3[CH2:8][CH2:9][C:10]4=[CH:11][C:12](=[O:13])[CH:14]=[CH:15][C@:16]4([CH3:17])[C@H:18]3[C:19](=[O:20])[CH2:21][C@:22]12[CH3:23] LSDPWZHWYPCBBB-UHFFFAOYSA-N.NLXNFIRHDBFJIH-BEUOHLRXSA-N>>UKOZZGLDBYREQK-AFMPOKAISA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C:3])-[S;H0;D2;+0:5]-[C;D1;H3:4]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3].[C;D1;H3:4]-[SH;D1;+0:5] bfc630981e2cf52fc744cd95e9bfb5f64893c36f393b013cad8bbc86c27aaef4 CS(=O)(=O)O[C@@H:21]1[C@@:2]2([CH3:1])[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C:10]4=[CH:11][C:12](=[O:13])[CH:14]=[CH:15][C@:16]34[CH3:17])[C@@H:18]2[CH2:19][CH2:20]1.[SH:22][CH2:23][c:24]1[cH:25][cH:26][c:27]([Cl:28])[cH:29][cH:30]1>CCO.ClC(Cl)Cl.[Na]>[CH3:1][C@:2]12[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C:10]4=[CH:11][C:12](=[O:13])[CH:14]=[CH:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@H:21]2[S:22][CH2:23][c:24]1[cH:25][cH:26][c:27]([Cl:28])[cH:29][cH:30]1 GKQXPTHQTXCXEV-UHFFFAOYSA-N.NLXNFIRHDBFJIH-BEUOHLRXSA-N>>JZEPHQCGFIQHQV-SASNSJNYSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3])-[S;H0;D2;+0:5]-[C:4]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3].[C:4]-[SH;D1;+0:5] 81dff9227863e3f37ff62cf1b33a191de8d047efd2b336f35e16b58676c56b91 CS(=O)(=O)O[C@@H:21]1[C@@:2]2([CH3:1])[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C:10]4=[CH:11][C:12](=[O:13])[CH:14]=[CH:15][C@:16]34[CH3:17])[C@@H:18]2[CH2:19][CH2:20]1.[SH:22][CH2:23][c:24]1[c:25]([Cl:26])[cH:27][c:28]([Cl:29])[cH:30][cH:31]1>CCO.[Na]>[CH3:1][C@:2]12[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C:10]4=[CH:11][C:12](=[O:13])[CH:14]=[CH:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@H:21]2[S:22][CH2:23][c:24]1[c:25]([Cl:26])[cH:27][c:28]([Cl:29])[cH:30][cH:31]1 NLXNFIRHDBFJIH-BEUOHLRXSA-N.ZSPXTTVUJDSRNJ-UHFFFAOYSA-N>>HAIYKDKOVVNBSH-YTJMWAPESA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3])-[S;H0;D2;+0:5]-[C:4]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3].[C:4]-[SH;D1;+0:5] 81dff9227863e3f37ff62cf1b33a191de8d047efd2b336f35e16b58676c56b91 CS(=O)(=O)O[C@@H:21]1[C@@:2]2([CH3:1])[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C:10]4=[CH:11][C:12](=[O:13])[CH:14]=[CH:15][C@:16]34[CH3:17])[C@@H:18]2[CH2:19][CH2:20]1.[SH:22][CH2:23][c:24]1[cH:25][c:26]([Cl:27])[c:28]([Cl:29])[cH:30][cH:31]1>>[CH3:1][C@:2]12[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C:10]4=[CH:11][C:12](=[O:13])[CH:14]=[CH:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@H:21]2[S:22][CH2:23][c:24]1[cH:25][c:26]([Cl:27])[c:28]([Cl:29])[cH:30][cH:31]1 CEGBRSQPRQXALB-UHFFFAOYSA-N.NLXNFIRHDBFJIH-BEUOHLRXSA-N>>AEDQIMFWHLTPFG-SJPGKWRSSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3])-[S;H0;D2;+0:5]-[C:4]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3].[C:4]-[SH;D1;+0:5] 81dff9227863e3f37ff62cf1b33a191de8d047efd2b336f35e16b58676c56b91 CS(=O)(=O)O[C@H:6]1[CH2:7][CH2:8][C@H:9]2[C@@H:10]3[CH2:11][CH2:12][C:13]4=[CH:14][C:15](=[O:16])[CH:17]=[CH:18][C@:19]4([CH3:20])[C@H:21]3[C:22](=[O:23])[CH2:24][C@:25]12[CH3:26].[CH3:1][c:2]1[c:3]([CH2:4][SH:5])[cH:27][cH:28][cH:29][cH:30]1>>[CH3:1][c:2]1[c:3]([CH2:4][S:5][C@@H:6]2[CH2:7][CH2:8][C@H:9]3[C@@H:10]4[CH2:11][CH2:12][C:13]5=[CH:14][C:15](=[O:16])[CH:17]=[CH:18][C@:19]5([CH3:20])[C@H:21]4[C:22](=[O:23])[CH2:24][C@:25]23[CH3:26])[cH:27][cH:28][cH:29][cH:30]1 NLXNFIRHDBFJIH-BEUOHLRXSA-N.PJUDFYDAJBQPEA-UHFFFAOYSA-N>>KCLKBYFTEXSJDU-XISQYIGNSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C:3])-[S;H0;D2;+0:5]-[C:4]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3].[C:4]-[SH;D1;+0:5] bfc630981e2cf52fc744cd95e9bfb5f64893c36f393b013cad8bbc86c27aaef4 CS(=O)(=O)O[C@@H:20]1[C@@:15]2([CH3:16])[CH2:14][CH2:13][C@@H:12]3[C@@:2]4([CH3:1])[CH:3]=[CH:4][C:5](=[O:6])[CH:7]=[C:8]4[CH2:9][CH2:10][C@H:11]3[C@@H:17]2[CH2:18][CH2:19]1.[SH:21][CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1>CCO.[Na+].[Na].O>[CH3:1][C@:2]12[CH:3]=[CH:4][C:5](=[O:6])[CH:7]=[C:8]1[CH2:9][CH2:10][C@@H:11]1[C@@H:12]2[CH2:13][CH2:14][C@@:15]2([CH3:16])[C@H:17]1[CH2:18][CH2:19][C@H:20]2[S:21][CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1 UENWRTRMUIOCKN-UHFFFAOYSA-N.YQPRWRIDDZZFLT-RABCQHRBSA-N>>WAZUPEPONCMRPA-HZOVOTIMSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3])-[S;H0;D2;+0:5]-[C:4]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3].[C:4]-[SH;D1;+0:5] 81dff9227863e3f37ff62cf1b33a191de8d047efd2b336f35e16b58676c56b91 [CH3:1][C:2]#[C:3][CH2:4][CH2:5][C:6](=[O:7])/[CH:8]=[CH:9]/[C@H:10]1[C@H:11]([O:12][C:13]([CH3:14])=[O:15])[CH2:16][C@@H:17]2[O:18][C@H:19]([CH2:20][CH2:21][CH2:22][CH2:23][C:24](=[O:25])[O:26][CH3:27])[CH2:28][C@H:29]12>C1CCOC1.CO.B.[Na+]>[CH3:1][C:2]#[C:3][CH2:4][CH2:5][C@H:6]([OH:7])/[CH:8]=[CH:9]/[C@H:10]1[C@H:11]([O:12][C:13]([CH3:14])=[O:15])[CH2:16][C@@H:17]2[O:18][C@H:19]([CH2:20][CH2:21][CH2:22][CH2:23][C:24](=[O:25])[O:26][CH3:27])[CH2:28][C@H:29]12 XHFMNXSRIWXRTM-PTKKKFEJSA-N>>JSEWMZWVABBZIW-LIEAFCKCSA-N 0.0 Unrecognized False substrate controlled False [C:1]/[C:2]=[C:3]/[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[C:1]/[C:2]=[C:3]/[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] aa0c5d364c7b0880336e4d2a527b429971b8f795c3ee991061e4feff1f6058c0 [CH3:1][C:2]#[C:3][CH2:4][CH2:5][C:6](=[O:7])/[CH:8]=[CH:9]/[C@H:10]1[C@H:11]([O:12][C:13]([CH3:14])=[O:15])[CH2:16][C@@H:17]2[O:18][C@@H:19]([CH2:20][CH2:21][CH2:22][CH2:23][C:24](=[O:25])[O:26][CH3:27])[CH2:28][C@H:29]12>C1CCOC1.CO.B.[Na+]>[CH3:1][C:2]#[C:3][CH2:4][CH2:5][C@H:6]([OH:7])/[CH:8]=[CH:9]/[C@H:10]1[C@H:11]([O:12][C:13]([CH3:14])=[O:15])[CH2:16][C@@H:17]2[O:18][C@@H:19]([CH2:20][CH2:21][CH2:22][CH2:23][C:24](=[O:25])[O:26][CH3:27])[CH2:28][C@H:29]12 XHFMNXSRIWXRTM-ZAVPQDBASA-N>>JSEWMZWVABBZIW-ZLXSTKBVSA-N 0.0 Unrecognized False substrate controlled False [C:1]/[C:2]=[C:3]/[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[C:1]/[C:2]=[C:3]/[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] aa0c5d364c7b0880336e4d2a527b429971b8f795c3ee991061e4feff1f6058c0 [CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][CH2:7][CH2:8][C@H:9]1[CH2:10][C@H:11]2[C@H:12]([CH2:13][C@@H:14]([O:15][C:16]([CH3:17])=[O:18])[C@@H:19]2/[CH:20]=[CH:21]/[C:22](=[O:23])[CH2:24][CH2:25][CH:26]=[C:27]([CH3:28])[CH3:29])[O:30]1>C1CCOC1.CO.B.[Na+]>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][CH2:7][CH2:8][C@H:9]1[CH2:10][C@H:11]2[C@H:12]([CH2:13][C@@H:14]([O:15][C:16]([CH3:17])=[O:18])[C@@H:19]2/[CH:20]=[CH:21]/[C@@H:22]([OH:23])[CH2:24][CH2:25][CH:26]=[C:27]([CH3:28])[CH3:29])[O:30]1 MAUQLEOPGOXIOT-CJNQNQSTSA-N>>BNKUNKGXCLFIOJ-JZNWQUTLSA-N 0.0 Unrecognized False substrate controlled False [C:1]/[C:2]=[C:3]/[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[C:1]/[C:2]=[C:3]/[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] aa0c5d364c7b0880336e4d2a527b429971b8f795c3ee991061e4feff1f6058c0 [CH3:1][CH2:2][CH2:3][N:4]([CH2:5][CH2:6][CH3:7])[CH2:8][C:9](=[O:10])[O:11][C@H:12]1[CH2:13][C@:14]2([CH3:15])[C@@H:16]([C:17]([CH3:18])=[O:19])[CH2:20][CH2:21][C@H:22]2[C@@H:23]2[CH2:24][CH2:25][C@H:26]3[CH2:27][C:28](=[O:29])[CH2:30][CH2:31][C@:32]3([CH3:33])[C@@H:34]12>CCN(CC)CC.Cl.Cl.Cl[Ir](Cl)(Cl)Cl.O.O=C(O)O.[Na+]>[CH3:1][CH2:2][CH2:3][N:4]([CH2:5][CH2:6][CH3:7])[CH2:8][C:9](=[O:10])[O:11][C@H:12]1[CH2:13][C@:14]2([CH3:15])[C@@H:16]([C:17]([CH3:18])=[O:19])[CH2:20][CH2:21][C@H:22]2[C@@H:23]2[CH2:24][CH2:25][C@H:26]3[CH2:27][C@H:28]([OH:29])[CH2:30][CH2:31][C@:32]3([CH3:33])[C@@H:34]12 ZPYJBLMTAJFDCQ-UIUCGJBYSA-N>>PNHRRHOTKQXQMM-IDBSYEAHSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C:2]1([C@H:3]2[CH2:4][CH2:5][C@H:6]3[C@@H:7]4[CH2:8][CH2:9][C@H:10]5[CH2:11][CH:12]=[CH:13][CH2:14][C@:15]5([CH3:16])[C@H:17]4[C:18](=[O:19])[CH2:20][C@:21]23[CH3:22])[O:23][CH2:24][CH2:25][O:26]1>CCO.O.B.[Na+]>[CH3:1][C:2]1([C@H:3]2[CH2:4][CH2:5][C@H:6]3[C@@H:7]4[CH2:8][CH2:9][C@H:10]5[CH2:11][CH:12]=[CH:13][CH2:14][C@:15]5([CH3:16])[C@H:17]4[C@@H:18]([OH:19])[CH2:20][C@:21]23[CH3:22])[O:23][CH2:24][CH2:25][O:26]1 IZCOHUBVLOVWBV-PTSGMJDFSA-N>>CXNZXXIJBVMNLR-ILMCUKGCSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C@@H:2]1[CH2:3][C@H:4]2[C@@H:5]3[CH2:6][CH2:7][C@H:8]4[CH2:9][C@H:10]([OH:11])[CH2:12][CH2:13][C@:14]4([CH3:15])[C@H:16]3[C:17](=[O:18])[CH2:19][C@:20]2([CH3:21])[C@H:22]1[C:23]1([CH3:24])[O:25][CH2:26][CH2:27][O:28]1>CC(=O)O.CCO.O.B.[Na+].c1ccncc1>[CH3:1][C@@H:2]1[CH2:3][C@H:4]2[C@@H:5]3[CH2:6][CH2:7][C@H:8]4[CH2:9][C@H:10]([OH:11])[CH2:12][CH2:13][C@:14]4([CH3:15])[C@H:16]3[C@@H:17]([OH:18])[CH2:19][C@:20]2([CH3:21])[C@H:22]1[C:23]1([CH3:24])[O:25][CH2:26][CH2:27][O:28]1 KBFMXGMFXZCTJX-WTRUPIQLSA-N>>HJDFLOAUPHZXJE-WLDZZYRESA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][O:2][C:3](=[O:4])[C@H:5]1[CH2:6][CH2:7][C@H:8]2[C@@H:9]3[CH2:10][CH2:11][C@H:12]4[CH2:13][C@H:14]([OH:15])[CH2:16][CH2:17][C@:18]4([CH3:19])[C@H:20]3[C:21](=[O:22])[CH2:23][C@:24]12[CH3:25]>CO.O.B.[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@H:5]1[CH2:6][CH2:7][C@H:8]2[C@@H:9]3[CH2:10][CH2:11][C@H:12]4[CH2:13][C@H:14]([OH:15])[CH2:16][CH2:17][C@:18]4([CH3:19])[C@H:20]3[C@@H:21]([OH:22])[CH2:23][C@:24]12[CH3:25] ODKJUYSMFJPIRP-QNMZLRKGSA-N>>PZBGEACDHKMIAM-IPRWDUJSSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C:2](=[O:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C@H:11]4[CH2:12][C:13](=[O:14])[CH2:15][CH2:16][C@:17]4([CH3:18])[C@H:19]3[C@@H:20]([O:21][C:22](=[O:23])[CH2:24][Cl:25])[CH2:26][C@:27]12[CH3:28]>CCN(CC)CC.Cl.Cl.Cl[Ir](Cl)(Cl)Cl.O.O>[CH3:1][C:2](=[O:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C@H:11]4[CH2:12][C@H:13]([OH:14])[CH2:15][CH2:16][C@:17]4([CH3:18])[C@H:19]3[C@@H:20]([O:21][C:22](=[O:23])[CH2:24][Cl:25])[CH2:26][C@:27]12[CH3:28] WDFLGARREHDZOJ-SJJCMIQYSA-N>>YVJPMWDVNRBTNA-OACKUZQISA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 O=C(O[OH:14])c1cccc(Cl)c1.[CH3:1][C:2](=[O:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C@H:11]4[CH2:12][CH:13]=[CH:15][CH2:16][C@:17]4([CH3:18])[C@H:19]3[C@@H:20]([O:21][C:22](=[O:23])[CH2:24][Cl:25])[CH2:26][C@:27]12[CH3:28]>ClC(Cl)Cl>[CH3:1][C:2](=[O:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C@H:11]4[CH2:12][C@@H:13]5[O:14][C@@H:15]5[CH2:16][C@:17]4([CH3:18])[C@H:19]3[C@@H:20]([O:21][C:22](=[O:23])[CH2:24][Cl:25])[CH2:26][C@:27]12[CH3:28] BGERZLCHKYESQK-JTLXZUEGSA-N.NHQDETIJWKXCTC-UHFFFAOYSA-N>>ZICYSXQEUYSNOK-GTLZCTFUSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3]1-[O;H0;D2;+0:1]-[C@H;D3;+0:4]-1-[C:5]>>Cl-c1:c:c:c:c(-C(=O)-O-[OH;D1;+0:1]):c:1.[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5] c347e171e5b6b45a33e6b67f722aa99cc6e0f8560df6c504bf73b47d0d8c6558 O=C(O[OH:13])c1cccc(Cl)c1.[CH3:1][C:2]1([C@H:3]2[CH2:4][CH2:5][C@H:6]3[C@@H:7]4[CH2:8][CH2:9][C@H:10]5[CH2:11][CH:12]=[CH:14][CH2:15][C@:16]5([CH3:17])[C@H:18]4[C:19](=[O:20])[CH2:21][C@:22]23[CH3:23])[O:24][CH2:25][CH2:26][O:27]1>>[CH3:1][C:2]1([C@H:3]2[CH2:4][CH2:5][C@H:6]3[C@@H:7]4[CH2:8][CH2:9][C@H:10]5[CH2:11][C@@H:12]6[O:13][C@@H:14]6[CH2:15][C@:16]5([CH3:17])[C@H:18]4[C:19](=[O:20])[CH2:21][C@:22]23[CH3:23])[O:24][CH2:25][CH2:26][O:27]1 IZCOHUBVLOVWBV-PTSGMJDFSA-N.NHQDETIJWKXCTC-UHFFFAOYSA-N>>NCERMMAKVSVLSJ-GVWNFWPUSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3]1-[O;H0;D2;+0:1]-[C@H;D3;+0:4]-1-[C:5]>>Cl-c1:c:c:c:c(-C(=O)-O-[OH;D1;+0:1]):c:1.[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5] c347e171e5b6b45a33e6b67f722aa99cc6e0f8560df6c504bf73b47d0d8c6558 O=C(O[OH:13])c1cccc(Cl)c1.[CH3:1][C@:2]12[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C@H:10]4[CH2:11][CH:12]=[CH:14][CH2:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C:21]2=[O:22]>ClC(Cl)Cl>[CH3:1][C@:2]12[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C@H:10]4[CH2:11][C@@H:12]5[O:13][C@@H:14]5[CH2:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C:21]2=[O:22] ISCDVSARRNIGHW-TULRTYAESA-N.NHQDETIJWKXCTC-UHFFFAOYSA-N>>HXJWYLBILACDFN-SGWVEZSGSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3]1-[O;H0;D2;+0:1]-[C@H;D3;+0:4]-1-[C:5]>>Cl-c1:c:c:c:c(-C(=O)-O-[OH;D1;+0:1]):c:1.[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5] c347e171e5b6b45a33e6b67f722aa99cc6e0f8560df6c504bf73b47d0d8c6558 O[N:22]=[C:21]1[C@H:20]2[C@H:6]([C@@H:5]3[CH2:4][CH2:3][C:2](=[CH2:1])[C@@:24]3([CH3:25])[CH2:23]1)[CH2:7][CH2:8][C@H:9]1[CH2:10][C@H:11]([OH:12])[C@@H:13]([O:14][CH2:15][CH3:16])[CH2:17][C@@:18]12[CH3:19]>CCCO.O.[Na]>[CH2:1]=[C:2]1[CH2:3][CH2:4][C@H:5]2[C@@H:6]3[CH2:7][CH2:8][C@H:9]4[CH2:10][C@H:11]([OH:12])[C@@H:13]([O:14][CH2:15][CH3:16])[CH2:17][C@:18]4([CH3:19])[C@H:20]3[C@H:21]([NH2:22])[CH2:23][C@:24]12[CH3:25] DANCARCMULSEHN-YZIDAJQASA-N>>YZIYLLCKKXXELP-GEQIQSPESA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@H;D3;+0:2](-[C:4])-[NH2;D1;+0:1]>>O-[N;H0;D2;+0:1]=[C;H0;D3;+0:2](-[C:3])-[C:4] d607d05b46bcb6cbf83871aff9593711e3d72c643f6aceb4e2529f8cb0d4e4fd O[N:14]=[C:13]1[C@@H:12]2[C@@:2]3([CH3:1])[CH2:3][CH2:4][C@@H:5]([OH:6])[CH2:7][C@@H:8]3[CH2:9][CH2:10][C@H:11]2[C@H:18]2[C@:16]([CH3:17])([CH2:15]1)[C:21]1([CH2:20][CH2:19]2)[O:22][CH2:23][CH2:24][O:25]1>CCCO.[Na]>[CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]([OH:6])[CH2:7][C@@H:8]1[CH2:9][CH2:10][C@@H:11]1[C@@H:12]2[C@H:13]([NH2:14])[CH2:15][C@@:16]2([CH3:17])[C@H:18]1[CH2:19][CH2:20][C:21]21[O:22][CH2:23][CH2:24][O:25]1 JGRPUHYMGNTGSH-ZUJGYIQBSA-N>>ORBRHBMFVZYFGZ-NCSOOZNJSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@H;D3;+0:2](-[C:4])-[NH2;D1;+0:1]>>O-[N;H0;D2;+0:1]=[C;H0;D3;+0:2](-[C:3])-[C:4] d607d05b46bcb6cbf83871aff9593711e3d72c643f6aceb4e2529f8cb0d4e4fd O[N:20]=[C:19]1[C@H:18]2[C@H:7]([C@@H:6]3[CH2:5][CH2:4]/[C:3](=[CH:2]/[CH3:1])[C@@:22]3([CH3:23])[CH2:21]1)[CH2:8][CH2:9][C@H:10]1[CH2:11][C@H:12]([OH:13])[CH2:14][CH2:15][C@@:16]12[CH3:17]>CCCO>[CH3:1]/[CH:2]=[C:3]1/[CH2:4][CH2:5][C@H:6]2[C@@H:7]3[CH2:8][CH2:9][C@H:10]4[CH2:11][C@H:12]([OH:13])[CH2:14][CH2:15][C@:16]4([CH3:17])[C@H:18]3[C@H:19]([NH2:20])[CH2:21][C@:22]12[CH3:23] CLNJOCZDPJSLOZ-UCMJPBBOSA-N>>TVPMVTDJVDJZGM-JMOWIRDXSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@H;D3;+0:2](-[C:4])-[NH2;D1;+0:1]>>O-[N;H0;D2;+0:1]=[C;H0;D3;+0:2](-[C:3])-[C:4] d607d05b46bcb6cbf83871aff9593711e3d72c643f6aceb4e2529f8cb0d4e4fd O[N:23]=[C:22]1[C@H:21]2[C@H:7]([C@@H:6]3[CH2:5][CH2:4]/[C:3](=[CH:2]/[CH3:1])[C@@:25]3([CH3:26])[CH2:24]1)[CH2:8][CH2:9][C@H:10]1[CH2:11][C@H:12]([OH:13])[C@@H:14]([O:15][CH2:16][CH3:17])[CH2:18][C@@:19]12[CH3:20]>CCCO.O>[CH3:1]/[CH:2]=[C:3]1/[CH2:4][CH2:5][C@H:6]2[C@@H:7]3[CH2:8][CH2:9][C@H:10]4[CH2:11][C@H:12]([OH:13])[C@@H:14]([O:15][CH2:16][CH3:17])[CH2:18][C@:19]4([CH3:20])[C@H:21]3[C@H:22]([NH2:23])[CH2:24][C@:25]12[CH3:26] GOAQPRCCQSHDLP-OGOQFOMSSA-N>>WZQFNABSIJKKCD-MYJJNKTCSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@H;D3;+0:2](-[C:4])-[NH2;D1;+0:1]>>O-[N;H0;D2;+0:1]=[C;H0;D3;+0:2](-[C:3])-[C:4] d607d05b46bcb6cbf83871aff9593711e3d72c643f6aceb4e2529f8cb0d4e4fd [CH3:1][CH:2]([CH3:3])[CH2:4][CH2:5][CH2:6][C@@H:7]([CH3:8])[C@H:9]1[CH2:10][CH2:11][C@H:12]2[C@@H:13]3[CH:14]=[CH:15][C:16]4=[CH:17][C:18](=[O:19])[C@H:20]5[C@H:21]([O:22]5)[C@:23]4([CH3:24])[C@H:25]3[CH2:26][CH2:27][C@:28]12[CH3:29]>C1CCOC1.N.Cl.[Li].N>[CH3:1][CH:2]([CH3:3])[CH2:4][CH2:5][CH2:6][C@@H:7]([CH3:8])[C@H:9]1[CH2:10][CH2:11][C@H:12]2[C@@H:13]3[CH2:14][CH:15]=[C:16]4[CH2:17][C@@H:18]([OH:19])[CH2:20][C@H:21]([OH:22])[C@:23]4([CH3:24])[C@H:25]3[CH2:26][CH2:27][C@:28]12[CH3:29] HOSZMOQCLZCHTD-MOXRGVOBSA-N>>UXFVRWPSABSGRQ-AFWJMSMISA-N 0.0 Unrecognized False substrate controlled False [C:1]-[CH2;D2;+0:2]-[CH;D2;+0:3]=[C;H0;D3;+0:4]1-[C:11]-[C@@H;D3;+0:10](-[OH;D1;+0:9])-[CH2;D2;+0:8]-[C@H;D3;+0:6](-[OH;D1;+0:7])-[CH2;D2;+0:5]-1>>[C:1]-[CH;D2;+0:2]=[CH;D2;+0:3]-[C;H0;D3;+0:4]1=[CH;D2;+0:5]-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C@@H;D3;+0:8]2-[O;H0;D2;+0:9]-[C@@H;D3;+0:10]-2-[C:11]-1 afb15757de242997a0f350489e7d86bc445bee7bcca49f86de1eca05b87dc113 [CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]([OH:6])[CH2:7][C:8]1=[CH:9][CH2:10][C@@H:11]1[C@@H:12]2[CH2:13][CH2:14][C@:15]2([CH3:16])[C:17](=[O:18])[CH2:19][CH2:20][C@@:21]12[F:22]>CCO.[H][H].[Pd]>[CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]([OH:6])[CH2:7][C@@H:8]1[CH2:9][CH2:10][C@@H:11]1[C@@H:12]2[CH2:13][CH2:14][C@:15]2([CH3:16])[C:17](=[O:18])[CH2:19][CH2:20][C@@:21]12[F:22] WCCMKCPVODIYQZ-MZIYAPOESA-N>>NCNDPKACSWCVCC-LHPKUBOXSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[CH2;D2;+0:2]-[C@H;D3;+0:3](-[C:4])-[C:5]>>[C:1]-[CH;D2;+0:2]=[C;H0;D3;+0:3](-[C:4])-[C:5] 2ebe65af27f66ccedd51d2f3507b658100042b3e1e515f31ae318985b6f16726 [CH3:1][CH:2]=[C:3]1[CH2:4][C@@:5]2([CH3:6])[C@@H:7]([CH2:8][CH2:9][C@@H:10]3[C@@H:11]2[CH2:12][CH2:13][C@:14]2([CH3:15])[C@@H:16]([O:17][CH3:18])[CH2:19][CH2:20][C@@H:21]32)[CH2:22][C:23]1=[O:24]>[Pd]>[CH3:1][CH2:2][C@H:3]1[CH2:4][C@@:5]2([CH3:6])[C@@H:7]([CH2:8][CH2:9][C@@H:10]3[C@@H:11]2[CH2:12][CH2:13][C@:14]2([CH3:15])[C@@H:16]([O:17][CH3:18])[CH2:19][CH2:20][C@@H:21]32)[CH2:22][C:23]1=[O:24] BPGINDMUCWRZHP-OIELIUQCSA-N>>FGXRKNZJADUNNI-NOTVTWRDSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3]=[O;D1;H0:4])-[CH2;D2;+0:5]-[C;D1;H3:6]>>[C:1]-[C;H0;D3;+0:2](-[C:3]=[O;D1;H0:4])=[CH;D2;+0:5]-[C;D1;H3:6] fc700de7300ac734285b80b637969cbb3c743ca4a14f0623dac5adfa4b24c27e [CH3:1][O:2][C@H:3]1[CH2:4][CH2:5][C@H:6]2[C@@H:7]3[CH2:8][CH2:9][C@H:10]4[CH2:11][C:12](=[O:13])[CH2:14][CH2:15][C@:16]4([CH3:17])[C@H:18]3[CH2:19][CH2:20][C@:21]12[CH3:22]>CC(C)O.B.[Na+]>[CH3:1][O:2][C@H:3]1[CH2:4][CH2:5][C@H:6]2[C@@H:7]3[CH2:8][CH2:9][C@H:10]4[CH2:11][C@H:12]([OH:13])[CH2:14][CH2:15][C@:16]4([CH3:17])[C@H:18]3[CH2:19][CH2:20][C@:21]12[CH3:22] ZWUUVHILQRWRSQ-VHUDCFPWSA-N>>DJCLLPRQXAXWAB-RGJFDMQWSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH2:8][C@H:9]4[CH2:10][C@@H:11]5[O:12][C@@H:13]5[CH2:14][C@:15]34[CH3:16])[C@@H:17]1[CH2:18][CH2:19][C:20]2=[O:21]>CO.B.[Na+]>[CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH2:8][C@H:9]4[CH2:10][C@@H:11]5[O:12][C@@H:13]5[CH2:14][C@:15]34[CH3:16])[C@@H:17]1[CH2:18][CH2:19][C@@H:20]2[OH:21] WPLCXMVUVAWRQC-GPFHPJNKSA-N>>ZOAWUHAWUQAFKP-XGRAFVIBSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][CH:2]=[C:3]1[CH2:4][C@H:5]2[C@@H:6]3[CH2:7][CH2:8][c:9]4[c:10]([cH:11][cH:12][c:13]([O:14][CH3:15])[cH:16]4)[C@H:17]3[CH2:18][CH2:19][C@:20]2([CH3:21])[C:22]1=[O:23]>CCO.[Pd]>[CH3:1][CH2:2][C@H:3]1[CH2:4][C@H:5]2[C@@H:6]3[CH2:7][CH2:8][c:9]4[c:10]([cH:11][cH:12][c:13]([O:14][CH3:15])[cH:16]4)[C@H:17]3[CH2:18][CH2:19][C@:20]2([CH3:21])[C:22]1=[O:23] QCXNYINIBAYFSC-BNDYYXHWSA-N>>FTPMALBBEAZRQF-LFNIVQCGSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3]=[O;D1;H0:4])-[CH2;D2;+0:5]-[C;D1;H3:6]>>[C:1]-[C;H0;D3;+0:2](-[C:3]=[O;D1;H0:4])=[CH;D2;+0:5]-[C;D1;H3:6] fc700de7300ac734285b80b637969cbb3c743ca4a14f0623dac5adfa4b24c27e C[O:12][c:11]1[cH:10][c:9]2[c:15]([cH:14][cH:13]1)[C@@H:16]1[C@H:6]([C@@H:5]3[CH2:4][C@H:3]([CH2:2][CH3:1])[C@H:21]([OH:22])[C@@:19]3([CH3:20])[CH2:18][CH2:17]1)[CH2:7][CH2:8]2>C1CCOC1.CC(C)(C)O.N.[Li]>[CH3:1][CH2:2][C@H:3]1[CH2:4][C@H:5]2[C@@H:6]3[CH2:7][CH2:8][C:9]4=[CH:10][C:11](=[O:12])[CH2:13][CH2:14][C@@H:15]4[C@H:16]3[CH2:17][CH2:18][C@:19]2([CH3:20])[C@H:21]1[OH:22] DIQABZDCGSUCBS-IJHSDMNYSA-N>>FCKLFGKATYPJPG-SSTBVEFVSA-N 0.0 Unrecognized False substrate controlled False [C:7]-[C@H;D3;+0:6]1-[CH2;D2;+0:8]-[CH2;D2;+0:9]-[C;H0;D3;+0:2](=[O;H0;D1;+0:1])-[CH;D2;+0:3]=[C;H0;D3;+0:4]-1-[C:5]>>C-[O;H0;D2;+0:1]-[c;H0;D3;+0:2]1:[cH;D2;+0:3]:[c;H0;D3;+0:4](-[C:5]):[c;H0;D3;+0:6](-[C:7]):[cH;D2;+0:8]:[cH;D2;+0:9]:1 5e8b1148b30b2f7a25f0d28268fafd52bfc0593ed957b948dd1330a0bd870622 [CH3:1][C@H:2]([CH2:3][O:4][CH:5]1[CH2:6][CH2:7][CH2:8][CH2:9][O:10]1)[C@H:11]1[CH2:12][CH2:13][C@H:14]2[C@@H:15]3[CH:16]=[CH:17][C:18]4=[CH:19][C:20](=[O:21])[C@H:22]5[C@H:23]([O:24]5)[C@:25]4([CH3:26])[C@H:27]3[CH2:28][CH2:29][C@:30]12[CH3:31]>CCOCC.N.Cl.[Li].N>[CH3:1][C@H:2]([CH2:3][O:4][CH:5]1[CH2:6][CH2:7][CH2:8][CH2:9][O:10]1)[C@H:11]1[CH2:12][CH2:13][C@H:14]2[C@@H:15]3[CH2:16][CH:17]=[C:18]4[CH2:19][C@@H:20]([OH:21])[CH2:22][C@H:23]([OH:24])[C@:25]4([CH3:26])[C@H:27]3[CH2:28][CH2:29][C@:30]12[CH3:31] YWNZVURZZOMEDS-PCGWCGNKSA-N>>IXRZDKYIWZAGQK-SENXECOMSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[CH2;D2;+0:2]-[CH;D2;+0:3]=[C;H0;D3;+0:4]1-[C:11]-[C@@H;D3;+0:10](-[OH;D1;+0:9])-[CH2;D2;+0:8]-[C@H;D3;+0:6](-[OH;D1;+0:7])-[CH2;D2;+0:5]-1>>[C:1]-[CH;D2;+0:2]=[CH;D2;+0:3]-[C;H0;D3;+0:4]1=[CH;D2;+0:5]-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C@@H;D3;+0:8]2-[O;H0;D2;+0:9]-[C@@H;D3;+0:10]-2-[C:11]-1 afb15757de242997a0f350489e7d86bc445bee7bcca49f86de1eca05b87dc113 [CH3:1][C@H:2]([CH2:3][OH:4])[C@H:5]1[CH2:6][CH2:7][C@H:8]2[C@@H:9]3[CH:10]=[CH:11][C:12]4=[CH:13][C:14](=[O:15])[C@H:16]5[C@H:17]([O:18]5)[C@:19]4([CH3:20])[C@H:21]3[CH2:22][CH2:23][C@:24]12[CH3:25]>C1CCOC1.C=CC(=C)C.CCOCC.CCOCC.N.Cl.[Li].N>[CH3:1][C@H:2]([CH2:3][OH:4])[C@H:5]1[CH2:6][CH2:7][C@H:8]2[C@@H:9]3[CH2:10][CH:11]=[C:12]4[CH2:13][C@@H:14]([OH:15])[CH2:16][C@H:17]([OH:18])[C@:19]4([CH3:20])[C@H:21]3[CH2:22][CH2:23][C@:24]12[CH3:25] ARGUWKIBYFRRSE-XBAFMBDESA-N>>ZQUGSRZUSYJMRF-BPRCXSBHSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[CH2;D2;+0:2]-[CH;D2;+0:3]=[C;H0;D3;+0:4]1-[C:11]-[C@@H;D3;+0:10](-[OH;D1;+0:9])-[CH2;D2;+0:8]-[C@H;D3;+0:6](-[OH;D1;+0:7])-[CH2;D2;+0:5]-1>>[C:1]-[CH;D2;+0:2]=[CH;D2;+0:3]-[C;H0;D3;+0:4]1=[CH;D2;+0:5]-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C@@H;D3;+0:8]2-[O;H0;D2;+0:9]-[C@@H;D3;+0:10]-2-[C:11]-1 afb15757de242997a0f350489e7d86bc445bee7bcca49f86de1eca05b87dc113 O[OH:16].[CH3:1][C@@H:2]([OH:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH:9]=[CH:10][C:11]4=[CH:12][C:13](=[O:14])[CH:15]=[CH:17][C@:18]4([CH3:19])[C@H:20]3[CH2:21][CH2:22][C@:23]12[CH3:24]>CO.O.[Na+].O>[CH3:1][C@@H:2]([OH:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH:9]=[CH:10][C:11]4=[CH:12][C:13](=[O:14])[C@@H:15]5[O:16][C@@H:17]5[C@:18]4([CH3:19])[C@H:20]3[CH2:21][CH2:22][C@:23]12[CH3:24] LADYFCFWANVKKA-SJOKZOANSA-N.MHAJPDPJQMAIIY-UHFFFAOYSA-N>>UCOVXACYVTUFJX-PPLRNYJISA-N 0.0 Unrecognized True substrate controlled False [C@H;D3;+0:2]1-[C@H;D3;+0:3]-[O;H0;D2;+0:1]-1>>O-[OH;D1;+0:1].[CH;D2;+0:2]=[CH;D2;+0:3] 9740534d6e53603ec0885d1a62723b33e81cf64c2a5287ad4a8fbbf667c542ac [CH3:1][C@@H:2]([O:3][CH:4]1[CH2:5][CH2:6][CH2:7][CH2:8][O:9]1)[C@H:10]1[CH2:11][CH2:12][C@H:13]2[C@@H:14]3[CH:15]=[CH:16][C:17]4=[CH:18][C:19](=[O:20])[C@H:21]5[C@H:22]([O:23]5)[C@:24]4([CH3:25])[C@H:26]3[CH2:27][CH2:28][C@:29]12[CH3:30]>C=CC(=C)C.CCOCC.N.Cl.[Li].N>[CH3:1][C@@H:2]([O:3][CH:4]1[CH2:5][CH2:6][CH2:7][CH2:8][O:9]1)[C@H:10]1[CH2:11][CH2:12][C@H:13]2[C@@H:14]3[CH2:15][CH:16]=[C:17]4[CH2:18][C@@H:19]([OH:20])[CH2:21][C@H:22]([OH:23])[C@:24]4([CH3:25])[C@H:26]3[CH2:27][CH2:28][C@:29]12[CH3:30] DRVHWLJGASAIGW-DGTNWZISSA-N>>SZJKJVYEBSUXFW-ZJKZFRDOSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[CH2;D2;+0:2]-[CH;D2;+0:3]=[C;H0;D3;+0:4]1-[C:11]-[C@@H;D3;+0:10](-[OH;D1;+0:9])-[CH2;D2;+0:8]-[C@H;D3;+0:6](-[OH;D1;+0:7])-[CH2;D2;+0:5]-1>>[C:1]-[CH;D2;+0:2]=[CH;D2;+0:3]-[C;H0;D3;+0:4]1=[CH;D2;+0:5]-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C@@H;D3;+0:8]2-[O;H0;D2;+0:9]-[C@@H;D3;+0:10]-2-[C:11]-1 afb15757de242997a0f350489e7d86bc445bee7bcca49f86de1eca05b87dc113 [CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH:7]=[CH:8][C:9]4=[CH:10][C:11](=[O:12])[C@H:13]5[C@H:14]([O:15]5)[C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C:21]21[O:22][CH2:23][CH2:24][O:25]1>C1CCOC1.C=CC(=C)C.CCOCC.CCOCC.N.Cl.[Li].N>[CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH:8]=[C:9]4[CH2:10][C@@H:11]([OH:12])[CH2:13][C@H:14]([OH:15])[C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C:21]21[O:22][CH2:23][CH2:24][O:25]1 OFNXJEMTSIJRAV-VJLCOJPHSA-N>>IAHQWTSXBJZXED-WDCLZLQXSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[CH2;D2;+0:2]-[CH;D2;+0:3]=[C;H0;D3;+0:4]1-[C:11]-[C@@H;D3;+0:10](-[OH;D1;+0:9])-[CH2;D2;+0:8]-[C@H;D3;+0:6](-[OH;D1;+0:7])-[CH2;D2;+0:5]-1>>[C:1]-[CH;D2;+0:2]=[CH;D2;+0:3]-[C;H0;D3;+0:4]1=[CH;D2;+0:5]-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C@@H;D3;+0:8]2-[O;H0;D2;+0:9]-[C@@H;D3;+0:10]-2-[C:11]-1 afb15757de242997a0f350489e7d86bc445bee7bcca49f86de1eca05b87dc113 [CH3:1][C:2]1([C@H:3]2[CH2:4][CH2:5][C@H:6]3[C@@H:7]4[CH:8]=[CH:9][C:10]5=[CH:11][C:12](=[O:13])[C@H:14]6[C@H:15]([O:16]6)[C@:17]5([CH3:18])[C@H:19]4[CH2:20][CH2:21][C@:22]23[CH3:23])[O:24][CH2:25][CH2:26][O:27]1>C1CCOC1.C=CC(=C)C.CCOCC.CCOCC.N.Cl.[Li].N>[CH3:1][C:2]1([C@H:3]2[CH2:4][CH2:5][C@H:6]3[C@@H:7]4[CH2:8][CH:9]=[C:10]5[CH2:11][C@@H:12]([OH:13])[CH2:14][C@H:15]([OH:16])[C@:17]5([CH3:18])[C@H:19]4[CH2:20][CH2:21][C@:22]23[CH3:23])[O:24][CH2:25][CH2:26][O:27]1 YUMXBFQJWDNMHB-CDECAYHGSA-N>>LHJOFUPLVYZXBG-NOECQHEYSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[CH2;D2;+0:2]-[CH;D2;+0:3]=[C;H0;D3;+0:4]1-[C:11]-[C@@H;D3;+0:10](-[OH;D1;+0:9])-[CH2;D2;+0:8]-[C@H;D3;+0:6](-[OH;D1;+0:7])-[CH2;D2;+0:5]-1>>[C:1]-[CH;D2;+0:2]=[CH;D2;+0:3]-[C;H0;D3;+0:4]1=[CH;D2;+0:5]-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C@@H;D3;+0:8]2-[O;H0;D2;+0:9]-[C@@H;D3;+0:10]-2-[C:11]-1 afb15757de242997a0f350489e7d86bc445bee7bcca49f86de1eca05b87dc113 [CH3:1][C:2](=[O:3])[O:4][C@H:5]1[CH2:6][C@H:7]([O:8][C:9]([CH3:10])=[O:11])[CH2:12][C:13]2=[CH:14][CH2:15][C@H:16]3[C@@H:17]4[CH2:18][CH:19]=[C:20]([C@H:21]([CH3:22])[CH2:23][OH:24])[C@@:25]4([CH3:26])[CH2:27][CH2:28][C@@H:29]3[C@@:30]12[CH3:31]>CCO.[H][H].[Pt]>[CH3:1][C:2](=[O:3])[O:4][C@H:5]1[CH2:6][C@H:7]([O:8][C:9]([CH3:10])=[O:11])[CH2:12][C:13]2=[CH:14][CH2:15][C@H:16]3[C@@H:17]4[CH2:18][CH2:19][C@H:20]([C@H:21]([CH3:22])[CH2:23][OH:24])[C@@:25]4([CH3:26])[CH2:27][CH2:28][C@@H:29]3[C@@:30]12[CH3:31] AWMOJHHVFJXAJQ-VBSWXKPTSA-N>>ZLGSTZVMFFXXGE-JGIVEVIRSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[CH2;D2;+0:2]-[C@H;D3;+0:3](-[C:4])-[C:5]>>[C:1]-[CH;D2;+0:2]=[C;H0;D3;+0:3](-[C:4])-[C:5] 2ebe65af27f66ccedd51d2f3507b658100042b3e1e515f31ae318985b6f16726 [CH:1]#[C:2][CH2:3][C@:4]12[CH2:5][CH2:6][C:7](=[O:8])[CH:9]=[C:10]1[CH2:11][CH2:12][C@@H:13]1[C@@H:14]2[CH2:15][CH2:16][C@:17]2([CH3:18])[C:19](=[O:20])[CH2:21][CH2:22][C@@H:23]12>CC(=O)O.CO.B.[K+]>[CH:1]#[C:2][CH2:3][C@:4]12[CH2:5][CH2:6][C:7](=[O:8])[CH:9]=[C:10]1[CH2:11][CH2:12][C@@H:13]1[C@@H:14]2[CH2:15][CH2:16][C@:17]2([CH3:18])[C@@H:19]([OH:20])[CH2:21][CH2:22][C@@H:23]12 JKPDEYAOCSQBSZ-OEUJLIAZSA-N>>BGINFVVZTILJGD-PXQJOHHUSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d O=[C:3]1[C@H:4]([OH:5])[CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][c:11]4[c:12]([cH:13][cH:14][c:15]([OH:16])[cH:17]4)[C@H:18]3[CH2:19][CH2:20][C@:21]12[CH3:22].[CH3:1][NH2:2]>CC(=O)O.CC(=O)O.B.[Na+]>[CH3:1][NH:2][C@H:3]1[C@H:4]([OH:5])[CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][c:11]4[c:12]([cH:13][cH:14][c:15]([OH:16])[cH:17]4)[C@H:18]3[CH2:19][CH2:20][C@:21]12[CH3:22] BAVYZALUXZFZLV-UHFFFAOYSA-N.WPOCIZJTELRQMF-QFXBJFAPSA-N>>PPPXYPPFQFAPMY-QKDSSNGWSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C:3])-[NH;D2;+0:5]-[C;D1;H3:4]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[C;D1;H3:4]-[NH2;D1;+0:5] a8e56c9c6336cfc3fc1d08acd8bbc81ff9882c9f18f2ba601555112e48f8efac [CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C@H:9]1[CH2:10][CH2:11][C@:12]3([CH3:13])[C:14](=[O:15])[C@H:16]([CH3:17])[CH2:18][C@H:19]3[C@@H:20]1[CH2:21][CH2:22]2>CCO.Cl.O.B.[Na+]>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C@H:9]1[CH2:10][CH2:11][C@:12]3([CH3:13])[C@@H:14]([OH:15])[C@H:16]([CH3:17])[CH2:18][C@H:19]3[C@@H:20]1[CH2:21][CH2:22]2 FSYCIUWJEQPAKS-IBZIAHCJSA-N>>IYUKKBLXSPWZLQ-UDXCRLPVSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][CH:2]=[C:3]1[CH2:4][C@H:5]2[C@@H:6]3[CH2:7][CH2:8][c:9]4[c:10]([cH:11][cH:12][c:13]([O:14][CH3:15])[cH:16]4)[C@H:17]3[CH2:18][CH2:19][C@:20]2([CH2:21][CH3:22])[C:23]1=[O:24]>CCO.[Pd]>[CH3:1][CH2:2][C@H:3]1[CH2:4][C@H:5]2[C@@H:6]3[CH2:7][CH2:8][c:9]4[c:10]([cH:11][cH:12][c:13]([O:14][CH3:15])[cH:16]4)[C@H:17]3[CH2:18][CH2:19][C@:20]2([CH2:21][CH3:22])[C:23]1=[O:24] OSSMHSKTDDHTBD-JBPLPALLSA-N>>NPZZKNFXMYUDMW-YXCZRKTLSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3]=[O;D1;H0:4])-[CH2;D2;+0:5]-[C;D1;H3:6]>>[C:1]-[C;H0;D3;+0:2](-[C:3]=[O;D1;H0:4])=[CH;D2;+0:5]-[C;D1;H3:6] fc700de7300ac734285b80b637969cbb3c743ca4a14f0623dac5adfa4b24c27e [CH3:1][CH2:2][CH2:3][C@:4]1([O:5][C:6]([CH3:7])=[O:8])[CH2:9][CH2:10][C@H:11]2[C@@H:12]3[CH2:13][CH2:14][C@H:15]4[CH2:16][C:17](=[O:18])[CH2:19][C@H:20]([CH3:21])[C@:22]4([CH3:23])[C@H:24]3[CH2:25][CH2:26][C@:27]12[CH3:28]>CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C.[HH].[Li+]>[CH3:1][CH2:2][CH2:3][C@:4]1([O:5][C:6]([CH3:7])=[O:8])[CH2:9][CH2:10][C@H:11]2[C@@H:12]3[CH2:13][CH2:14][C@H:15]4[CH2:16][C@@H:17]([OH:18])[CH2:19][C@H:20]([CH3:21])[C@:22]4([CH3:23])[C@H:24]3[CH2:25][CH2:26][C@:27]12[CH3:28] DNVGRWSSKUJEFS-SAMBVFMGSA-N>>BTYHGOMKOXOZIG-ZRGLUKMUSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][CH:2]([CH3:3])[C:4](=[O:5])[O:6][C@H:7]1[CH2:8][C@@H:9]2[CH2:10][CH2:11][C@@H:12]3[C@H:13]([CH2:14][CH2:15][C@@:16]4([CH3:17])[C@H:18]3[CH2:19][C@H:20]([N:21]3[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]3)[C:27]4=[O:28])[C@@:29]2([CH3:30])[CH2:31][C@@H:32]1[N:33]1[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1>CO.ClCCl.O.B.[Na+]>[CH3:1][CH:2]([CH3:3])[C:4](=[O:5])[O:6][C@H:7]1[CH2:8][C@@H:9]2[CH2:10][CH2:11][C@@H:12]3[C@H:13]([CH2:14][CH2:15][C@@:16]4([CH3:17])[C@H:18]3[CH2:19][C@H:20]([N:21]3[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]3)[C@@H:27]4[OH:28])[C@@:29]2([CH3:30])[CH2:31][C@@H:32]1[N:33]1[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1 INTBDYTYMFJPLF-PVHWQWDDSA-N>>NGNJILLAWNRODF-IYJGUVRPSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][C@@H:7]([CH3:8])[C:9]1=[CH:10][CH2:11][C@H:12]2[C@@H:13]3[CH2:14][CH:15]=[C:16]4[CH2:17][C@@H:18]([O:19][C:20]([CH3:21])=[O:22])[CH2:23][C@H:24]([O:25][C:26]([CH3:27])=[O:28])[C@:29]4([CH3:30])[C@H:31]3[CH2:32][CH2:33][C@:34]12[CH3:35]>CCO.[H][H].[Pt]>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][C@@H:7]([CH3:8])[C@H:9]1[CH2:10][CH2:11][C@H:12]2[C@@H:13]3[CH2:14][CH:15]=[C:16]4[CH2:17][C@@H:18]([O:19][C:20]([CH3:21])=[O:22])[CH2:23][C@H:24]([O:25][C:26]([CH3:27])=[O:28])[C@:29]4([CH3:30])[C@H:31]3[CH2:32][CH2:33][C@:34]12[CH3:35] IBMJGEDXPMIQQQ-MWEQOWSWSA-N>>YIWSTRMSGXBLNO-QNMSKDNQSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[CH2;D2;+0:2]-[C@@H;D3;+0:3](-[C:4])-[C:5]>>[C:1]-[CH;D2;+0:2]=[C;H0;D3;+0:3](-[C:4])-[C:5] 05675f9eecea9fed6ca08fc4581511e42ec4fea0ca77351e260a499df9546024 [CH3:1][CH2:2][C:3]#[C:4][CH2:5][CH:6]([CH3:7])[C:8](=[O:9])/[CH:10]=[CH:11]/[C@H:12]1[C@H:13]([O:14][C:15](=[O:16])[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH2:23][C@@H:24]2[O:25][C:26](=[O:27])[CH2:28][C@H:29]12>CCOCC.CO.B.[Na+]>[CH3:1][CH2:2][C:3]#[C:4][CH2:5][CH:6]([CH3:7])[C@H:8]([OH:9])/[CH:10]=[CH:11]/[C@H:12]1[C@H:13]([O:14][C:15](=[O:16])[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH2:23][C@@H:24]2[O:25][C:26](=[O:27])[CH2:28][C@H:29]12 FPXFEJJYRJAEFL-HWGXYJOYSA-N>>KRKHNBCGLIIMJQ-PWGYUKICSA-N 0.0 Unrecognized False substrate controlled False [C:1]/[C:2]=[C:3]/[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[C:1]/[C:2]=[C:3]/[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] aa0c5d364c7b0880336e4d2a527b429971b8f795c3ee991061e4feff1f6058c0 CS(=O)(=O)O[C@@H:2]([CH3:1])[CH2:3][CH2:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1.[OH:12][c:13]1[cH:14][c:15]([O:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]([Br:25])[cH:26][cH:27]1>CCOCC.CN(C)C=O.O.O=C(O)O>[CH3:1][C@H:2]([CH2:3][CH2:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[O:12][c:13]1[cH:14][c:15]([O:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:24]([Br:25])[cH:26][cH:27]1 DNSGVSFZTCXNCE-UHFFFAOYSA-N.XWGCUHKGFJCGQA-NSHDSACASA-N>>CEASQHQQGOXTKG-LJQANCHMSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[O;H0;D2;+0:4]-[c:5]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[OH;D1;+0:4]-[c:5] 7ed7682f4493f97b7c1c2dde061ce8acff81cc19d8ac2d445e8c8af1e56d9132 [N-]=[N+]=[C:22]([C:23](=[O:24])[O:25][CH2:26][c:27]1[cH:28][cH:29][c:30]([N+:31](=[O:32])[O-:33])[cH:34][cH:35]1)[C:36](=[O:37])[CH2:38][C@@H:39]1[C@@H:18]([C:2]([CH3:1])([CH3:3])[O:4][C:5](=[O:6])[O:7][CH2:8][c:9]2[cH:10][cH:11][c:12]([N+:13](=[O:14])[O-:15])[cH:16][cH:17]2)[C:19](=[O:20])[NH:21]1>CC(=O)O.CC(=O)O.[Rh+2].c1ccccc1>[CH3:1][C:2]([CH3:3])([O:4][C:5](=[O:6])[O:7][CH2:8][c:9]1[cH:10][cH:11][c:12]([N+:13](=[O:14])[O-:15])[cH:16][cH:17]1)[C@H:18]1[C:19](=[O:20])[N:21]2[C@@H:22]([C:23](=[O:24])[O:25][CH2:26][c:27]3[cH:28][cH:29][c:30]([N+:31](=[O:32])[O-:33])[cH:34][cH:35]3)[C:36](=[O:37])[CH2:38][C@H:39]12 VIAOLKKXWHJPRA-UYAOXDASSA-N>>IPWBNQYVIMFARB-HMXCVIKNSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D3;+0:2]1-[C@@H;D3;+0:1]-[N;H0;D3;+0:5]-[C@H;D3;+0:4]-[CH2;D2;+0:3]-1>>[N-]=[N+]=[C;H0;D3;+0:1]-[C;H0;D3;+0:2]-[CH2;D2;+0:3]-[C@H;D3;+0:4]-[NH;D2;+0:5] e45d8fb541af5caeba3455ffd0223c280c8d3bb03da9dbfdf10cfb9a23bd90b3 [CH3:1][C@H:2]([CH2:3][CH2:4][C:5](=[O:6])[OH:7])[C@H:8]1[CH2:9][CH2:10][C@H:11]2[C@@H:12]3[C:13](=[O:14])[CH2:15][CH:16]4[CH2:17][C@H:18]([OH:19])[CH2:20][CH2:21][C@:22]4([CH3:23])[C@H:24]3[CH2:25][CH2:26][C@:27]12[CH3:28]>C1CCOC1.CO.N.[Li]>[CH3:1][C@H:2]([CH2:3][CH2:4][C:5](=[O:6])[OH:7])[C@H:8]1[CH2:9][CH2:10][C@H:11]2[C@@H:12]3[C@@H:13]([OH:14])[CH2:15][CH:16]4[CH2:17][C@H:18]([OH:19])[CH2:20][CH2:21][C@:22]4([CH3:23])[C@H:24]3[CH2:25][CH2:26][C@:27]12[CH3:28] DXOCDBGWDZAYRQ-DVTFWNRPSA-N>>RUDATBOHQWOJDD-OMGBIQTBSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C:2](=[O:3])[O:4][C@@H:5]1[CH2:6][CH2:7][C@@H:8]2[CH2:9][CH2:10][C@@H:11]3[C@H:12]([CH2:13][CH2:14][C@@:15]4([CH3:16])[C@H:17]3[CH2:18][C@H:19]([N:20]3[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]3)[C:26]4=[O:27])[C@@:28]2([CH3:29])[CH2:30]1>CO.O.B.[Na+]>[CH3:1][C:2](=[O:3])[O:4][C@@H:5]1[CH2:6][CH2:7][C@@H:8]2[CH2:9][CH2:10][C@@H:11]3[C@H:12]([CH2:13][CH2:14][C@@:15]4([CH3:16])[C@H:17]3[CH2:18][C@H:19]([N:20]3[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]3)[C@@H:26]4[OH:27])[C@@:28]2([CH3:29])[CH2:30]1 KIISIFQZUGHSHJ-CGESMSGCSA-N>>ORXAVOYGJBAGOR-CIKSVZQZSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 O=[C:6]([C:4]([O:3][CH2:2][CH3:1])=[O:5])[CH2:7][CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1.[NH2:15][C@@H:16]([CH3:17])[C:18](=[O:19])[N:20]1[CH2:21][C@@H:22]([CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:30][C@H:31]1[C:32](=[O:33])[OH:34]>CCO.BC#N.[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]([CH2:7][CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[NH:15][C@@H:16]([CH3:17])[C:18](=[O:19])[N:20]1[CH2:21][C@@H:22]([CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:30][C@H:31]1[C:32](=[O:33])[OH:34] LCGXDNCAZBINRQ-DRZSPHRISA-N.STPXIOGYOLJXMZ-UHFFFAOYSA-N>>YWKDYVVMRZFRKL-HCUBDLJJSA-N 0.0 Unrecognized False substrate controlled False [#7:8]-[C:9](=[O;D1;H0:10])-[C:11]-[NH;D2;+0:12]-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7].[#7:8]-[C:9](=[O;D1;H0:10])-[C:11]-[NH2;D1;+0:12] 2f3e8161e49878ad0bf600cd18a51d73a02621fcb4211b0b55822089f94a0f32 O=[C:6]([C:4]([O:3][CH2:2][CH3:1])=[O:5])[CH2:7][CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1.[NH2:15][C@@H:16]([CH3:17])[C:18](=[O:19])[N:20]1[CH2:21][C@@H:22]([S:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:30][C@H:31]1[C:32](=[O:33])[OH:34]>CCO.O.BC#N.[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]([CH2:7][CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[NH:15][C@@H:16]([CH3:17])[C:18](=[O:19])[N:20]1[CH2:21][C@@H:22]([S:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:30][C@H:31]1[C:32](=[O:33])[OH:34] CMXBCCFJZDQPEQ-DLOVCJGASA-N.STPXIOGYOLJXMZ-UHFFFAOYSA-N>>QQLGVUZZXZNJFA-QGQQZZQASA-N 0.0 Unrecognized False substrate controlled False [#7:8]-[C:9](=[O;D1;H0:10])-[C:11]-[NH;D2;+0:12]-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7].[#7:8]-[C:9](=[O;D1;H0:10])-[C:11]-[NH2;D1;+0:12] 2f3e8161e49878ad0bf600cd18a51d73a02621fcb4211b0b55822089f94a0f32 [CH3:1][C:2](=[O:3])[O:4][C@H:5]1[CH2:6][CH2:7][C@@:8]2([CH3:9])[C:10](=[CH:11][C:12](=[O:13])[C@H:14]3[C@@H:15]4[C@@H:16]5[CH2:17][C@@H:18]5[C:19]5([O:20][CH2:21][CH2:22][O:23]5)[C@@:24]4([CH3:25])[CH2:26][CH2:27][C@H:28]23)[CH2:29]1>C1CCOC1.CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C.CCOCC.[Li+]>[CH3:1][C:2](=[O:3])[O:4][C@H:5]1[CH2:6][CH2:7][C@@:8]2([CH3:9])[C:10](=[CH:11][C@H:12]([OH:13])[C@H:14]3[C@@H:15]4[C@@H:16]5[CH2:17][C@@H:18]5[C:19]5([O:20][CH2:21][CH2:22][O:23]5)[C@@:24]4([CH3:25])[CH2:26][CH2:27][C@H:28]23)[CH2:29]1 OBZJSWXVXYDEMV-WDPIQEEMSA-N>>NKXCMRFRSBWKOB-WUEYNPSKSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[C:1]=[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 30b58d787d9916ad48be3323fde35e4d1c60b573ffde717577d2f36c035f619a CC(C)(C)O[OH:28].[CH3:1][C:2](=[O:3])[O:4][C@H:5]1[CH2:6][CH2:7][C@:8]2([CH3:9])[C@H:10]3[CH2:11][CH2:12][C@@:13]4([CH3:14])[C@@H:15]([C@@H:16]5[CH2:17][C@@H:18]5[C:19]45[O:20][CH2:21][CH2:22][O:23]5)[C@@H:24]3[C@@H:25]([OH:26])[CH:27]=[C:29]2[CH2:30]1>CCOCC.Cc1ccccc1>[CH3:1][C:2](=[O:3])[O:4][C@H:5]1[CH2:6][CH2:7][C@:8]2([CH3:9])[C@H:10]3[CH2:11][CH2:12][C@@:13]4([CH3:14])[C@@H:15]([C@@H:16]5[CH2:17][C@@H:18]5[C:19]45[O:20][CH2:21][CH2:22][O:23]5)[C@@H:24]3[C@@H:25]([OH:26])[C@H:27]3[O:28][C@@:29]23[CH2:30]1 CIHOLLKRGTVIJN-UHFFFAOYSA-N.NKXCMRFRSBWKOB-WUEYNPSKSA-N>>AORSIERMHPRMCY-RMDUUVJXSA-N 0.0 Unrecognized True substrate controlled False [C@@;H0;D4;+0:2]1-[C@@H;D3;+0:3]-[O;H0;D2;+0:1]-1>>C-C(-C)(-C)-O-[OH;D1;+0:1].[C;H0;D3;+0:2]=[CH;D2;+0:3] e4256eb500c8e4d947a588c37c982cbfedb40d741ed1ba917be555005f843944 [CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH:8]=[C:9]4[CH2:10][C@@H:11]([O:12][C:13](=[O:14])[c:15]5[cH:16][cH:17][cH:18][cH:19][cH:20]5)[CH2:21][CH2:22][C@:23]34[CH3:24])[C@@H:25]1[C@@H:26]1[CH2:27][C@@H:28]1[C:29]2=[O:30]>C1CCOC1.CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C.CCOCC.[Li+]>[CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH:8]=[C:9]4[CH2:10][C@@H:11]([O:12][C:13](=[O:14])[c:15]5[cH:16][cH:17][cH:18][cH:19][cH:20]5)[CH2:21][CH2:22][C@:23]34[CH3:24])[C@@H:25]1[C@@H:26]1[CH2:27][C@@H:28]1[C@@H:29]2[OH:30] BUPLRGMBRIPWDY-VZLCXVRMSA-N>>QTHTXTZFLQMTTJ-PELZNSPESA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 O=[C:6]([C:4]([O:3][CH2:2][CH3:1])=[O:5])[CH2:7][CH:8]([CH3:9])[CH3:10].[NH2:11][C@H:12]([C:13](=[O:14])[N:15]([CH2:16][C:17](=[O:18])[OH:19])[c:20]1[cH:21][cH:22][cH:23][n:24][cH:25]1)[C@@H:26]([CH3:27])[CH2:28][CH3:29]>BC#N.[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]([CH2:7][CH:8]([CH3:9])[CH3:10])[NH:11][C@H:12]([C:13](=[O:14])[N:15]([CH2:16][C:17](=[O:18])[OH:19])[c:20]1[cH:21][cH:22][cH:23][n:24][cH:25]1)[C@@H:26]([CH3:27])[CH2:28][CH3:29] MGSWAHQQBHNCEI-UHFFFAOYSA-N.SUQOLLHJECOHJX-CABZTGNLSA-N>>VULNGXYUAGVXHM-IEZWGBDMSA-N 0.0 Unrecognized False substrate controlled False [#7:8]-[C:9](=[O;D1;H0:10])-[C:11]-[NH;D2;+0:12]-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7].[#7:8]-[C:9](=[O;D1;H0:10])-[C:11]-[NH2;D1;+0:12] 2f3e8161e49878ad0bf600cd18a51d73a02621fcb4211b0b55822089f94a0f32 [CH:1]#[CH:2].[C:3]1(=[O:4])[C@@H:5]([CH3:6])[CH2:7][C@H:8]2[C@@H:9]3[CH2:10][CH2:11][C:12]4=[CH:13][C:14](=[O:15])[CH:16]=[CH:17][C@:18]4([CH3:19])[C:20]3=[CH:21][CH2:22][C@:23]12[CH3:24]>C1CCOC1.CC(C)=O.[Li+].[Li+]>[CH:1]#[C:2][C@:3]1([OH:4])[C@@H:5]([CH3:6])[CH2:7][C@H:8]2[C@@H:9]3[CH2:10][CH2:11][C:12]4=[CH:13][C:14](=[O:15])[CH:16]=[CH:17][C@:18]4([CH3:19])[C:20]3=[CH:21][CH2:22][C@:23]12[CH3:24] HSFWRNGVRCDJHI-UHFFFAOYSA-N.WEFXSWSNKPLMFM-SZLGOPTBSA-N>>CHNCOWAQCQWPJQ-NXLYOCQZSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@;H0;D4;+0:4](-[C:5])(-[OH;D1;+0:6])-[C;H0;D2;+0:2]#[C;D1;H1:1]>>[C;D1;H1:1]#[CH;D1;+0:2].[C:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 8104d78889a291ce07e1e8832d914a004d1bae693e6a56e08d7d7a5cf3b0db63 [N-]=[N+]=[C:22]([C:23](=[O:24])[O:25][CH2:26][c:27]1[cH:28][cH:29][c:30]([N+:31](=[O:32])[O-:33])[cH:34][cH:35]1)[C:36](=[O:37])[CH2:38][C@@H:39]1[C@H:18]([C:2]([CH3:1])([CH3:3])[O:4][C:5](=[O:6])[O:7][CH2:8][c:9]2[cH:10][cH:11][c:12]([N+:13](=[O:14])[O-:15])[cH:16][cH:17]2)[C:19](=[O:20])[NH:21]1>CC(=O)O.CC(=O)O.[Rh+2].c1ccccc1>[CH3:1][C:2]([CH3:3])([O:4][C:5](=[O:6])[O:7][CH2:8][c:9]1[cH:10][cH:11][c:12]([N+:13](=[O:14])[O-:15])[cH:16][cH:17]1)[C@@H:18]1[C:19](=[O:20])[N:21]2[C@@H:22]([C:23](=[O:24])[O:25][CH2:26][c:27]3[cH:28][cH:29][c:30]([N+:31](=[O:32])[O-:33])[cH:34][cH:35]3)[C:36](=[O:37])[CH2:38][C@H:39]12 VIAOLKKXWHJPRA-QUCCMNQESA-N>>IPWBNQYVIMFARB-HLAWJBBLSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D3;+0:2]1-[C@@H;D3;+0:1]-[N;H0;D3;+0:5]-[C@H;D3;+0:4]-[CH2;D2;+0:3]-1>>[N-]=[N+]=[C;H0;D3;+0:1]-[C;H0;D3;+0:2]-[CH2;D2;+0:3]-[C@H;D3;+0:4]-[NH;D2;+0:5] e45d8fb541af5caeba3455ffd0223c280c8d3bb03da9dbfdf10cfb9a23bd90b3 [CH2:1]=[C:2]1[CH:3]=[C:4]2[CH2:5][CH2:6][C@@H:7]3[C@H:8]([CH2:9][CH2:10][C@:11]4([CH3:12])[C:13](=[O:14])[CH2:15][CH2:16][C@@H:17]34)[C@@:18]2([CH2:19][OH:20])[CH2:21][CH2:22]1>CO.O.B.[Na+]>[CH2:1]=[C:2]1[CH:3]=[C:4]2[CH2:5][CH2:6][C@@H:7]3[C@H:8]([CH2:9][CH2:10][C@:11]4([CH3:12])[C@@H:13]([OH:14])[CH2:15][CH2:16][C@@H:17]34)[C@@:18]2([CH2:19][OH:20])[CH2:21][CH2:22]1 SBRDUTUCFOQHEB-VDWQKOAOSA-N>>UMSXABOVKDUUBI-RPZLJYRGSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d O=[C:6]([C:4]([O:3][CH2:2][CH3:1])=[O:5])[CH2:7][CH2:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1.[NH2:15][C@H:16]1[CH2:17][O:18][c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[N:25]([CH2:26][C:27](=[O:28])[O:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[C:37]1=[O:38]>Cl>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]([CH2:7][CH2:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1)[NH:15][C@H:16]1[CH2:17][O:18][c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[N:25]([CH2:26][C:27](=[O:28])[O:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[C:37]1=[O:38] FKGBXCDWKAFEPH-UHFFFAOYSA-N.GQWWZHLBTGZKTP-AWEZNQCLSA-N>>GRWOATLOFZMXJL-RPBOFIJWSA-N 0.0 Unrecognized False substrate controlled False [#7:8]-[C:9](=[O;D1;H0:10])-[C:11]-[NH;D2;+0:12]-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7].[#7:8]-[C:9](=[O;D1;H0:10])-[C:11]-[NH2;D1;+0:12] 86b90465fd6a14c1aba32652901e5359bacf4a4923fa4a5bbd4fefd99beb973a O=[C:6]([C:4]([O:3][CH2:2][CH3:1])=[O:5])[CH2:7][CH2:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1.[NH2:15][C@H:16]1[CH2:17][O:18][c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[N:25]([CH2:26][C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[C:34]1=[O:35]>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]([CH2:7][CH2:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1)[NH:15][C@H:16]1[CH2:17][O:18][c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[N:25]([CH2:26][C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[C:34]1=[O:35] FKGBXCDWKAFEPH-UHFFFAOYSA-N.LDNWISFPNLQNPT-JTQLQIEISA-N>>CMFHBPSTNCLLLL-RTWAWAEBSA-N 0.0 Unrecognized False substrate controlled False [#7:8]-[C:9](=[O;D1;H0:10])-[C:11]-[NH;D2;+0:12]-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7].[#7:8]-[C:9](=[O;D1;H0:10])-[C:11]-[NH2;D1;+0:12] 86b90465fd6a14c1aba32652901e5359bacf4a4923fa4a5bbd4fefd99beb973a [CH3:1][C@:2]12[CH2:3][C@H:4]([CH:5]([F:6])[F:7])[C@@H:8]3[C@H:9]4[CH2:10][CH2:11][C:12](=[O:13])[CH:14]=[C:15]4[CH2:16][CH2:17][C@H:18]3[C@@H:19]1[CH2:20][CH2:21][C:22]2=[O:23]>C1CCOC1.CC(=O)O.O.B.B.[Na+]>[CH3:1][C@:2]12[CH2:3][C@H:4]([CH:5]([F:6])[F:7])[C@@H:8]3[C@H:9]4[CH2:10][CH2:11][C:12](=[O:13])[CH:14]=[C:15]4[CH2:16][CH2:17][C@H:18]3[C@@H:19]1[CH2:20][CH2:21][C@@H:22]2[OH:23] JXWJXEGGIUJHRO-KDWNQABDSA-N>>IWBMKVOXCSQOTP-MTPKNHNSSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 O=[C:6]([C:4]([O:3][CH2:2][CH3:1])=[O:5])[CH2:7][CH2:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1.[NH2:15][C@H:16]1[CH2:17][S:18][c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[N:25]([CH2:26][C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[C:34]1=[O:35]>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]([CH2:7][CH2:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1)[NH:15][C@H:16]1[CH2:17][S:18][c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[N:25]([CH2:26][C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[C:34]1=[O:35] FKGBXCDWKAFEPH-UHFFFAOYSA-N.HBBIPUCUTBNKJJ-JTQLQIEISA-N>>CHXQOCMLLVLROV-RTWAWAEBSA-N 0.0 Unrecognized False substrate controlled False [#7:8]-[C:9](=[O;D1;H0:10])-[C:11]-[NH;D2;+0:12]-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7].[#7:8]-[C:9](=[O;D1;H0:10])-[C:11]-[NH2;D1;+0:12] 86b90465fd6a14c1aba32652901e5359bacf4a4923fa4a5bbd4fefd99beb973a [C:3]1(=[O:4])[C:5](=[CH2:6])[CH2:7][C@H:8]2[C@@H:9]3[CH:10]=[C:11]([CH3:12])[C:13]4=[CH:14][C:15](=[O:16])[CH2:17][CH2:18][C@:19]4([CH3:20])[C@H:21]3[CH2:22][CH2:23][C@:24]12[CH3:25].[CH:1]#[CH:2]>C1CCOC1.CC(=O)O.CCOC(C)=O.CO.O=P(O)(O)O.[Li]CCCC>[CH:1]#[C:2][C@:3]1([OH:4])[C:5](=[CH2:6])[CH2:7][C@H:8]2[C@@H:9]3[CH:10]=[C:11]([CH3:12])[C:13]4=[CH:14][C:15](=[O:16])[CH2:17][CH2:18][C@:19]4([CH3:20])[C@H:21]3[CH2:22][CH2:23][C@:24]12[CH3:25] HSFWRNGVRCDJHI-UHFFFAOYSA-N.WDRFLRSZNIHKAS-CDZAGZGOSA-N>>WZRFZZUWBLONPN-IBVJIVQJSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@@;H0;D4;+0:4](-[OH;D1;+0:5])(-[C:6]=[C;D1;H2:7])-[C;H0;D2;+0:2]#[C;D1;H1:1]>>[C;D1;H1:1]#[CH;D1;+0:2].[C:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6]=[C;D1;H2:7] 67bb936a200fa891894464355ecabf5eadf41d18fbf3a2fba72426cd7bfaed61 O=[CH:20][C@H:22]([OH:21])[C@@H:25]([OH:26])[C@H:27]([OH:28])[C@@H:29]([CH2:23][OH:24])[OH:30].[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][NH2:19]>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][NH:19][C@@H:20]1[O:21][C@H:22]([CH2:23][OH:24])[C@@H:25]([OH:26])[C@H:27]([OH:28])[C@H:29]1[OH:30] GZCGUPFRVQAUEE-SLPGGIOYSA-N.REYJJPSVUYRZGE-UHFFFAOYSA-N>>HDZVAKYKVBEOFL-GNADVCDUSA-N 0.0 Unrecognized True substrate controlled False [NH;D2;+0:10]-[C@@H;D3;+0:1]1-[O;H0;D2;+0:3]-[C@H;D3;+0:2](-[CH2;D2;+0:8]-[OH;D1;+0:9])-[C@@H;D3;+0:4]-[C@H;D3;+0:5]-[C@H;D3;+0:6]-1-[OH;D1;+0:7]>>O=[CH;D2;+0:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C@@H;D3;+0:4]-[C@H;D3;+0:5]-[C@H;D3;+0:6](-[OH;D1;+0:7])-[CH2;D2;+0:8]-[OH;D1;+0:9].[NH2;D1;+0:10] 7a9d1fdf852e2b4a421aeded1c919c2986de64fa24dfc91ff9ef6a6eea7f3df9 [C:3]1(=[O:4])[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH:10]=[C:11]4[CH:12]=[C:13]([O:14][CH3:15])[CH2:16][CH2:17][C@:18]4([CH3:19])[C@H:20]3[CH2:21][CH2:22][C@:23]12[CH3:24].[CH:1]#[CH:2]>C1CCOC1.CC(C)(C)O.NCCN.[K+].O>[CH:1]#[C:2][C@@:3]1([OH:4])[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH:10]=[C:11]4[CH:12]=[C:13]([O:14][CH3:15])[CH2:16][CH2:17][C@:18]4([CH3:19])[C@H:20]3[CH2:21][CH2:22][C@:23]12[CH3:24] HSFWRNGVRCDJHI-UHFFFAOYSA-N.WSIQEGIPGPEMTC-TXTPUJOMSA-N>>BAPGWCAJQLCJLR-VEYVBMQYSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@@;H0;D4;+0:4](-[C:5])(-[OH;D1;+0:6])-[C;H0;D2;+0:2]#[C;D1;H1:1]>>[C;D1;H1:1]#[CH;D1;+0:2].[C:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 58836c282b6931b384cb00bb1ac4fa972871b83da72ef39cd3f4aba7f066d7bd CC(C)(C)O[OH:9].[CH3:1][O:2][c:3]1[c:4]([CH3:5])[c:6]([CH2:7][CH:8]=[C:10]([CH3:11])[CH2:12][OH:13])[c:14]([O:15][CH3:16])[c:17]([CH3:18])[c:19]1[CH3:20]>CC(C)O.CC(C)O.CC(C)O.CC(C)O.CCCCOC(=O)[C@@H](O)[C@H](O)C(=O)OCCCC.CCOCC.ClCCl.[Na+].O.[Ti+4]>[CH3:1][O:2][c:3]1[c:4]([CH3:5])[c:6]([CH2:7][C@H:8]2[O:9][C@:10]2([CH3:11])[CH2:12][OH:13])[c:14]([O:15][CH3:16])[c:17]([CH3:18])[c:19]1[CH3:20] CIHOLLKRGTVIJN-UHFFFAOYSA-N.PYHBWIBUYYEEQE-UHFFFAOYSA-N>>XPYDFYVCZVQQTG-CZUORRHYSA-N 0.0 Unrecognized True reagent controlled False [C@;H0;D4;+0:2]1-[C@@H;D3;+0:3]-[O;H0;D2;+0:1]-1>>C-C(-C)(-C)-O-[OH;D1;+0:1].[C;H0;D3;+0:2]=[CH;D2;+0:3] e4256eb500c8e4d947a588c37c982cbfedb40d741ed1ba917be555005f843944 [CH3:1][C:2](=[O:3])[O:4][C@@H:5]1[CH2:6][C@@H:7]2[C@H:8]([CH2:9][CH2:10][C@@:11]3([CH3:12])[C@H:13]2[CH2:14][CH2:15][C@@H:16]3[C@H:17]([CH3:18])[CH2:19][CH2:20][CH2:21][CH:22]([CH3:23])[CH3:24])[C@@:25]2([CH3:26])[CH2:27][C@@H:28]([F:29])[C:30](=[O:31])[CH2:32][CH:33]12>C1CCOC1.CCOC(C)=O.CO.O.B.[Na+]>[CH3:1][C:2](=[O:3])[O:4][C@@H:5]1[CH2:6][C@@H:7]2[C@H:8]([CH2:9][CH2:10][C@@:11]3([CH3:12])[C@H:13]2[CH2:14][CH2:15][C@@H:16]3[C@H:17]([CH3:18])[CH2:19][CH2:20][CH2:21][CH:22]([CH3:23])[CH3:24])[C@@:25]2([CH3:26])[CH2:27][C@@H:28]([F:29])[C@@H:30]([OH:31])[CH2:32][CH:33]12 VHUFOEOMIKABDL-KHOWUBAJSA-N>>ZZGJLQNSMIGCSV-FHIPQBTESA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH:1]#[C:2][C:3](=[O:4])[CH:5]1[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1>B1C2CCCC1CCC2.C1CCOC1.CC1=CC[C@H]2C[C@@H]1C2(C)C>[CH:1]#[C:2][C@@H:3]([OH:4])[CH:5]1[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1 VRZSUVFVIIVLPV-UHFFFAOYSA-N>>CMJHRFATHWISFN-SECBINFHSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]#[C;D1;H1:5]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]#[C;D1;H1:5] 625623d341b04518f7cb0de1284c1f1603684fc898d8fde967984432889bdc30 O=[C:2]([CH3:1])[CH2:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[NH2:11][CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1>CC(=O)N[C@@H](CC(C)C)C(=O)O.CCO.Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.O.c1ccccc1>[CH3:1][C@H:2]([CH2:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:11][CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1 AKGGYBADQZYZPD-UHFFFAOYSA-N.WGQKYBSKWIADBV-UHFFFAOYSA-N>>ZASBYHZJHQFLGN-OAHLLOKOSA-N 0.0 Unrecognized False reagent controlled False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C;D1;H3:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 e2359fb816f6bae4d842f90c85938e1b4e834430a7315ba854d2d2cb224bedee O=[C:6]([C:4]([O:3][CH2:2][CH3:1])=[O:5])[CH2:7][CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1.[NH2:15][C@@H:16]([CH3:17])[C:18](=[O:19])[N:20]1[CH2:21][CH2:22][CH2:23][C@H:24]1[CH2:25][C:26](=[O:27])[OH:28]>CCO.Cl.BC#N.[Na+].[Na+].O>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]([CH2:7][CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[NH:15][C@@H:16]([CH3:17])[C:18](=[O:19])[N:20]1[CH2:21][CH2:22][CH2:23][C@H:24]1[CH2:25][C:26](=[O:27])[OH:28] KCWUAZOIBCTFAX-BQBZGAKWSA-N.STPXIOGYOLJXMZ-UHFFFAOYSA-N>>QSLCJZXFNJTFPV-SZMVWBNQSA-N 0.0 Unrecognized False substrate controlled False [#7:8]-[C:9](=[O;D1;H0:10])-[C:11]-[NH;D2;+0:12]-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7].[#7:8]-[C:9](=[O;D1;H0:10])-[C:11]-[NH2;D1;+0:12] 2f3e8161e49878ad0bf600cd18a51d73a02621fcb4211b0b55822089f94a0f32 [N-]=[N+]=[C:10]([C:11](=[O:12])[O:13][CH2:14][c:15]1[cH:16][cH:17][c:18]([N+:19](=[O:20])[O-:21])[cH:22][cH:23]1)[C:24](=[O:25])[CH2:26][C@@H:27]1[C@@H:6]([C:3]([O:2][CH3:1])([CH3:4])[CH3:5])[C:7](=[O:8])[NH:9]1>CC(=O)O.CC(=O)O.[Rh+2].c1ccccc1>[CH3:1][O:2][C:3]([CH3:4])([CH3:5])[C@H:6]1[C:7](=[O:8])[N:9]2[C@@H:10]([C:11](=[O:12])[O:13][CH2:14][c:15]3[cH:16][cH:17][c:18]([N+:19](=[O:20])[O-:21])[cH:22][cH:23]3)[C:24](=[O:25])[CH2:26][C@H:27]12 AWWJGANGJSKHFZ-TZMCWYRMSA-N>>WNFPVVKKDZRQQR-BPLDGKMQSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D3;+0:2]1-[C@@H;D3;+0:1]-[N;H0;D3;+0:5]-[C@H;D3;+0:4]-[CH2;D2;+0:3]-1>>[N-]=[N+]=[C;H0;D3;+0:1]-[C;H0;D3;+0:2]-[CH2;D2;+0:3]-[C@H;D3;+0:4]-[NH;D2;+0:5] e45d8fb541af5caeba3455ffd0223c280c8d3bb03da9dbfdf10cfb9a23bd90b3 [N-]=[N+]=[C:10]([C:11](=[O:12])[O:13][CH2:14][c:15]1[cH:16][cH:17][c:18]([N+:19](=[O:20])[O-:21])[cH:22][cH:23]1)[C:24](=[O:25])[CH2:26][C@@H:27]1[C@H:6]([C:3]([O:2][CH3:1])([CH3:4])[CH3:5])[C:7](=[O:8])[NH:9]1>CC(=O)O.CC(=O)O.[Rh+2].c1ccccc1>[CH3:1][O:2][C:3]([CH3:4])([CH3:5])[C@@H:6]1[C:7](=[O:8])[N:9]2[C@@H:10]([C:11](=[O:12])[O:13][CH2:14][c:15]3[cH:16][cH:17][c:18]([N+:19](=[O:20])[O-:21])[cH:22][cH:23]3)[C:24](=[O:25])[CH2:26][C@H:27]12 AWWJGANGJSKHFZ-OCCSQVGLSA-N>>WNFPVVKKDZRQQR-VHDGCEQUSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D3;+0:2]1-[C@@H;D3;+0:1]-[N;H0;D3;+0:5]-[C@H;D3;+0:4]-[CH2;D2;+0:3]-1>>[N-]=[N+]=[C;H0;D3;+0:1]-[C;H0;D3;+0:2]-[CH2;D2;+0:3]-[C@H;D3;+0:4]-[NH;D2;+0:5] e45d8fb541af5caeba3455ffd0223c280c8d3bb03da9dbfdf10cfb9a23bd90b3 [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][O:9][C:10](=[O:11])[CH2:12][C:13](=[O:14])[CH2:15][Cl:16]>O.OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][O:9][C:10](=[O:11])[CH2:12][C@@H:13]([OH:14])[CH2:15][Cl:16] QVBGSRKQOYZMLR-UHFFFAOYSA-N>>YWUCLFSFZIBCGK-LLVKDONJSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C:9]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C:9] bbb21099eb294f3913c12c84d48034ae11437e90cc44c8c1465c22111b52afc6 O[OH:21].[CH3:1][CH:2]([CH3:3])[CH2:4][CH2:5][CH2:6][C@@H:7]([CH3:8])[C@H:9]1[CH2:10][CH2:11][C@H:12]2[C@@H:13]3[CH:14]=[CH:15][C:16]4=[CH:17][C:18](=[O:19])[CH:20]=[CH:22][C@:23]4([CH3:24])[C@H:25]3[CH2:26][CH2:27][C@:28]12[CH3:29]>CCO.[Na+].O>[CH3:1][CH:2]([CH3:3])[CH2:4][CH2:5][CH2:6][C@@H:7]([CH3:8])[C@H:9]1[CH2:10][CH2:11][C@H:12]2[C@@H:13]3[CH:14]=[CH:15][C:16]4=[CH:17][C:18](=[O:19])[C@@H:20]5[O:21][C@@H:22]5[C@:23]4([CH3:24])[C@H:25]3[CH2:26][CH2:27][C@:28]12[CH3:29] MHAJPDPJQMAIIY-UHFFFAOYSA-N.NIJCHQWGAFQPFT-GYKMGIIDSA-N>>HOSZMOQCLZCHTD-MOXRGVOBSA-N 0.0 Unrecognized True substrate controlled False [C@H;D3;+0:2]1-[C@H;D3;+0:3]-[O;H0;D2;+0:1]-1>>O-[OH;D1;+0:1].[CH;D2;+0:2]=[CH;D2;+0:3] 9740534d6e53603ec0885d1a62723b33e81cf64c2a5287ad4a8fbbf667c542ac [CH:1]#[C:2][C:3](=[O:4])[CH:5]1[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1>B1C2CCCC1CCC2.C1CCOC1.CC1=CC[C@H]2C[C@@H]1C2(C)C>[CH:1]#[C:2][C@@H:3]([OH:4])[CH:5]1[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1 VRZSUVFVIIVLPV-UHFFFAOYSA-N>>CMJHRFATHWISFN-SECBINFHSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]#[C;D1;H1:5]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]#[C;D1;H1:5] 8478184279fc2e13823593acd0d0082ed7ba9668bd5211c61664a700968c0f98 O=[C:2]([CH3:1])[CH2:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[NH2:11][CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1>CC(=O)N[C@@H](CC(C)C)C(=O)O.CCO.Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.O.c1ccccc1>[CH3:1][C@H:2]([CH2:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:11][CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1 AKGGYBADQZYZPD-UHFFFAOYSA-N.WGQKYBSKWIADBV-UHFFFAOYSA-N>>ZASBYHZJHQFLGN-OAHLLOKOSA-N 0.0 Unrecognized False reagent controlled True [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C;D1;H3:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 8d7f71fe86028e9e12d66697fadec826dce8c59099c83dd66a3093c4f969778a [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][O:9][C:10](=[O:11])[CH2:12][C:13](=[O:14])[CH2:15][Cl:16]>O.OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][O:9][C:10](=[O:11])[CH2:12][C@@H:13]([OH:14])[CH2:15][Cl:16] QVBGSRKQOYZMLR-UHFFFAOYSA-N>>YWUCLFSFZIBCGK-LLVKDONJSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C:9]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C:9] 811c4d40f644988e478ae44f96428cdb9344f188862e684f75c42e22295e3173 O[OH:22].[CH3:1][C@H:2]([CH2:3][CH2:4][CH2:5][C:6]([CH3:7])([CH3:8])[OH:9])[C@H:10]1[CH2:11][CH2:12][C@H:13]2[C@@H:14]3[CH:15]=[CH:16][C:17]4=[CH:18][C:19](=[O:20])[CH:21]=[CH:23][C@:24]4([CH3:25])[C@H:26]3[CH2:27][CH2:28][C@:29]12[CH3:30]>CCO.O.[K+].O>[CH3:1][C@H:2]([CH2:3][CH2:4][CH2:5][C:6]([CH3:7])([CH3:8])[OH:9])[C@H:10]1[CH2:11][CH2:12][C@H:13]2[C@@H:14]3[CH:15]=[CH:16][C:17]4=[CH:18][C:19](=[O:20])[C@@H:21]5[O:22][C@@H:23]5[C@:24]4([CH3:25])[C@H:26]3[CH2:27][CH2:28][C@:29]12[CH3:30] HIRJUBYXEOKIMY-REEZCCHISA-N.MHAJPDPJQMAIIY-UHFFFAOYSA-N>>TZXFWVLEMAYCOX-VHGHIXSYSA-N 0.0 Unrecognized True substrate controlled False [C@H;D3;+0:2]1-[C@H;D3;+0:3]-[O;H0;D2;+0:1]-1>>O-[OH;D1;+0:1].[CH;D2;+0:2]=[CH;D2;+0:3] 9740534d6e53603ec0885d1a62723b33e81cf64c2a5287ad4a8fbbf667c542ac O=[CH:14][C@H:16]([OH:15])[C@@H:19]([OH:20])[C@H:21]([OH:22])[C@@H:23]([CH2:17][OH:18])[OH:24].[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][NH2:13]>CCO>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][NH:13][C@@H:14]1[O:15][C@H:16]([CH2:17][OH:18])[C@@H:19]([OH:20])[C@H:21]([OH:22])[C@H:23]1[OH:24] GZCGUPFRVQAUEE-SLPGGIOYSA-N.JRBPAEWTRLWTQC-UHFFFAOYSA-N>>CGRNGAJCQIWCRM-UYTYNIKBSA-N 0.0 Unrecognized True substrate controlled False [NH;D2;+0:10]-[C@@H;D3;+0:1]1-[O;H0;D2;+0:3]-[C@H;D3;+0:2](-[CH2;D2;+0:8]-[OH;D1;+0:9])-[C@@H;D3;+0:4]-[C@H;D3;+0:5]-[C@H;D3;+0:6]-1-[OH;D1;+0:7]>>O=[CH;D2;+0:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C@H;D3;+0:4]-[C@@H;D3;+0:5]-[C@H;D3;+0:6](-[OH;D1;+0:7])-[CH2;D2;+0:8]-[OH;D1;+0:9].[NH2;D1;+0:10] 7a9d1fdf852e2b4a421aeded1c919c2986de64fa24dfc91ff9ef6a6eea7f3df9 N[C@@H:6]([CH2:5][CH2:4][CH2:3][CH2:2][NH2:1])[C:8](=[O:9])[OH:10].[OH2:7]>NC(N)=O.O=NO.O=NO.O=S(=O)(O)O.[Na+]>[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][C@H:6]([OH:7])[C:8](=[O:9])[OH:10] KDXKERNSBIXSRK-YFKPBYRVSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>CEWDTFLISAWJHG-YFKPBYRVSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[OH;D1;+0:6])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[OH2;D0;+0:6] 3b2930445911a30f6eef1993b611280cb26ac438bc2995944b0d46cd68ec10e9 [CH3:1][O:2][C:3](=[O:4])[CH2:5][C:6](=[O:7])[CH2:8][Cl:9]>NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=P(O)(O)O.[Na+].[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]([OH:7])[CH2:8][Cl:9] HFLMYYLFSNEOOT-UHFFFAOYSA-N>>WMRINGSAVOPXTE-SCSAIBSYSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8] 923f08f73bcf231a4469a783b476454dfc996b66619f88800e0679ca088598ce [CH:1]#[CH:2].[C:3]1(=[O:4])[CH:5]=[CH:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C:11]4=[CH:12][C:13](=[O:14])[CH2:15][CH2:16][C@@H:17]4[C@H:18]3[CH2:19][CH2:20][C@:21]12[CH2:22][CH3:23]>[Li+].[Li+]>[CH:1]#[C:2][C@:3]1([OH:4])[CH:5]=[CH:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C:11]4=[CH:12][C:13](=[O:14])[CH2:15][CH2:16][C@@H:17]4[C@H:18]3[CH2:19][CH2:20][C@:21]12[CH2:22][CH3:23] HSFWRNGVRCDJHI-UHFFFAOYSA-N.KDPVUVSSWBMDQN-ATIFRJIPSA-N>>SIGSPDASOTUPFS-XUDSTZEESA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@@;H0;D4;+0:4](-[OH;D1;+0:5])(-[C:6]=[C:7])-[C;H0;D2;+0:2]#[C;D1;H1:1]>>[C;D1;H1:1]#[CH;D1;+0:2].[C:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6]=[C:7] 67bb936a200fa891894464355ecabf5eadf41d18fbf3a2fba72426cd7bfaed61 [CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]([CH2:7][C:8](=[O:9])[c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[NH:16][C@@H:17]([CH3:18])[C:19](=[O:20])[N:21]1[CH2:22][CH2:23][CH2:24][C@H:25]1[C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32]>CCO.[Pd]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]([CH2:7][C@@H:8]([OH:9])[c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[NH:16][C@@H:17]([CH3:18])[C:19](=[O:20])[N:21]1[CH2:22][CH2:23][CH2:24][C@H:25]1[C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32] QKHWRHHYLMDAFM-WDSOQIARSA-N>>YFYBSRMKRGZEPS-FRYIKTPZSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][O:2][C:3](=[O:4])[CH2:5][C:6](=[O:7])[CH2:8][Cl:9]>NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=P(O)(O)O.[Na+].[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]([OH:7])[CH2:8][Cl:9] HFLMYYLFSNEOOT-UHFFFAOYSA-N>>WMRINGSAVOPXTE-SCSAIBSYSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8] 6d22697717f18276a46a829d2506058ec35ca7c95a696f7fd2a8edc46f88faeb [O:1]=[C:2]1[C@@H:3]2[CH2:4][CH2:5][CH:6]=[CH:7][C@@H:8]2[C:9]1([Cl:10])[Cl:11]>CC=CCCCC(C)=O.CO.B.[Na+]>[OH:1][C@@H:2]1[C@@H:3]2[CH2:4][CH2:5][CH:6]=[CH:7][C@@H:8]2[C:9]1([Cl:10])[Cl:11] MHFJPIZWTIKAND-RITPCOANSA-N>>JWKPCYKHRDJOPU-DSYKOEDSSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][CH2:2][CH2:3][CH2:4][C:5]([CH3:6])([CH3:7])[C:8](=[O:9])/[CH:10]=[CH:11]/[C@H:12]1[C@H:13]([OH:14])[CH2:15][C@@H:16]([Cl:17])[C@@H:18]1[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][C:25](=[O:26])[O:27][CH3:28]>CC(=O)O.CCCCC=CC(=O)OC.CO.B.[Ce+3].Cl.Cl.Cl.[Na+]>[CH3:1][CH2:2][CH2:3][CH2:4][C:5]([CH3:6])([CH3:7])[C@H:8]([OH:9])/[CH:10]=[CH:11]/[C@H:12]1[C@H:13]([OH:14])[CH2:15][C@@H:16]([Cl:17])[C@@H:18]1[CH2:19]/[CH:20]=[CH:21]\[CH2:22][CH2:23][CH2:24][C:25](=[O:26])[O:27][CH3:28] RJPNUMQYEQNFMZ-OSVRFWAJSA-N>>RXFNCICJKFSACJ-RLDGYGABSA-N 0.0 Unrecognized False substrate controlled False [C:1]/[C:2]=[C:3]/[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[C:1]/[C:2]=[C:3]/[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] aa0c5d364c7b0880336e4d2a527b429971b8f795c3ee991061e4feff1f6058c0 O=[N+:1]([O-])[CH2:2][C@@H:3]([c:4]1[cH:5][cH:6][c:7]([Cl:8])[cH:9][cH:10]1)[CH:11]1[CH2:12][CH2:13][CH2:14][CH2:15][C:16]1=[O:17]>C1CCOC1.C1CCOC1.CCO.CCOCC.O.[Al+3].[HH].[HH].[HH].[HH].[Li+]>[NH2:1][CH2:2][C@@H:3]([c:4]1[cH:5][cH:6][c:7]([Cl:8])[cH:9][cH:10]1)[C@H:11]1[CH2:12][CH2:13][CH2:14][CH2:15][C@H:16]1[OH:17] QIVDWZOPTYQWQB-ABLWVSNPSA-N>>PZLQBEUFDWQERV-HZSPNIEDSA-N 0.0 Unrecognized False substrate controlled False [C:5]-[C@H;D3;+0:4](-[C:3]-[C:2]-[NH2;D1;+0:1])-[C@@H;D3;+0:6](-[C:7])-[OH;D1;+0:8]>>O=[N+;H0;D3:1](-[O-])-[C:2]-[C:3]-[CH;D3;+0:4](-[C:5])-[C;H0;D3;+0:6](-[C:7])=[O;H0;D1;+0:8] 7a36597a4da013be3745760485c43963f5993941487d40d414247ed7017ff23a O=[N+:1]([O-])[CH2:2][C@@H:3]([c:4]1[cH:5][c:6]([Cl:7])[c:8]([Cl:9])[cH:10][cH:11]1)[CH:12]1[CH2:13][CH2:14][CH2:15][CH2:16][C:17]1=[O:18]>C1CCOC1.C1CCOC1.O.[Al+3].[HH].[HH].[HH].[HH].[Li+]>[NH2:1][CH2:2][C@@H:3]([c:4]1[cH:5][c:6]([Cl:7])[c:8]([Cl:9])[cH:10][cH:11]1)[C@H:12]1[CH2:13][CH2:14][CH2:15][CH2:16][C@H:17]1[OH:18] DVNMRCJEYNPMKE-DTIOYNMSSA-N>>YOAOBHZCAIZMQF-UHIISALHSA-N 0.0 Unrecognized False substrate controlled False [C:5]-[C@H;D3;+0:4](-[C:3]-[C:2]-[NH2;D1;+0:1])-[C@@H;D3;+0:6](-[C:7])-[OH;D1;+0:8]>>O=[N+;H0;D3:1](-[O-])-[C:2]-[C:3]-[CH;D3;+0:4](-[C:5])-[C;H0;D3;+0:6](-[C:7])=[O;H0;D1;+0:8] 7a36597a4da013be3745760485c43963f5993941487d40d414247ed7017ff23a O=[N+:1]([O-])[CH2:2][C@@H:3]([c:4]1[cH:5][cH:6][c:7]([F:8])[cH:9][cH:10]1)[CH:11]1[CH2:12][CH2:13][CH2:14][CH2:15][C:16]1=[O:17]>C1CCOC1.C1CCOC1.CC(C)OC(C)C.Cl.O.[Al+3].[HH].[HH].[HH].[HH].[Li+]>[NH2:1][CH2:2][C@@H:3]([c:4]1[cH:5][cH:6][c:7]([F:8])[cH:9][cH:10]1)[C@H:11]1[CH2:12][CH2:13][CH2:14][CH2:15][C@H:16]1[OH:17] JEPLWRUUPSJKLQ-ABLWVSNPSA-N>>JZQPUZZDZJPFRU-HZSPNIEDSA-N 0.0 Unrecognized False substrate controlled False [C:5]-[C@H;D3;+0:4](-[C:3]-[C:2]-[NH2;D1;+0:1])-[C@@H;D3;+0:6](-[C:7])-[OH;D1;+0:8]>>O=[N+;H0;D3:1](-[O-])-[C:2]-[C:3]-[CH;D3;+0:4](-[C:5])-[C;H0;D3;+0:6](-[C:7])=[O;H0;D1;+0:8] 7a36597a4da013be3745760485c43963f5993941487d40d414247ed7017ff23a O=[N+:1]([O-])[CH2:2][C@@H:3]([c:4]1[cH:5][c:6]([O:7][CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17]1)[CH:18]1[CH2:19][CH2:20][CH2:21][CH2:22][C:23]1=[O:24]>C1CCOC1.C1CCOC1.CCO.O.[Al+3].[HH].[HH].[HH].[HH].[Li+]>[NH2:1][CH2:2][C@@H:3]([c:4]1[cH:5][c:6]([O:7][CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17]1)[C@H:18]1[CH2:19][CH2:20][CH2:21][CH2:22][C@H:23]1[OH:24] IVLMEECRKOBVTQ-ANYOKISRSA-N>>SFFDEXVIRMOVKP-QHAWAJNXSA-N 0.0 Unrecognized False substrate controlled False [C:5]-[C@H;D3;+0:4](-[C:3]-[C:2]-[NH2;D1;+0:1])-[C@@H;D3;+0:6](-[C:7])-[OH;D1;+0:8]>>O=[N+;H0;D3:1](-[O-])-[C:2]-[C:3]-[CH;D3;+0:4](-[C:5])-[C;H0;D3;+0:6](-[C:7])=[O;H0;D1;+0:8] 7a36597a4da013be3745760485c43963f5993941487d40d414247ed7017ff23a O=[N+:1]([O-])[CH2:2][C@@H:3]([c:4]1[cH:5][cH:6][c:7]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:16][cH:17]1)[CH:18]1[CH2:19][CH2:20][CH2:21][CH2:22][C:23]1=[O:24]>C1CCOC1.C1CCOC1.CCO.O.[Al+3].[HH].[HH].[HH].[HH].[Li+]>[NH2:1][CH2:2][C@@H:3]([c:4]1[cH:5][cH:6][c:7]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:16][cH:17]1)[C@H:18]1[CH2:19][CH2:20][CH2:21][CH2:22][C@H:23]1[OH:24] VYWIXVKDSDMSMQ-ANYOKISRSA-N>>RKRQRAYYUJBDDV-QHAWAJNXSA-N 0.0 Unrecognized False substrate controlled False [C:5]-[C@H;D3;+0:4](-[C:3]-[C:2]-[NH2;D1;+0:1])-[C@@H;D3;+0:6](-[C:7])-[OH;D1;+0:8]>>O=[N+;H0;D3:1](-[O-])-[C:2]-[C:3]-[CH;D3;+0:4](-[C:5])-[C;H0;D3;+0:6](-[C:7])=[O;H0;D1;+0:8] 7a36597a4da013be3745760485c43963f5993941487d40d414247ed7017ff23a CS(=O)(=O)O[C@@H:5]1[CH2:6][C@@H:7]([CH2:8][O:9][CH2:10][CH2:11][NH:12][C:13]([NH2:14])=[O:15])[N:16]([C:17](=[O:18])[O:19][CH2:20][c:21]2[cH:22][cH:23][c:24]([N+:25](=[O:26])[O-:27])[cH:28][cH:29]2)[CH2:30]1.[CH3:1][C:2](=[O:3])[SH:4]>CN(C)C=O.[HH].[Na+]>[CH3:1][C:2](=[O:3])[S:4][C@H:5]1[CH2:6][C@@H:7]([CH2:8][O:9][CH2:10][CH2:11][NH:12][C:13]([NH2:14])=[O:15])[N:16]([C:17](=[O:18])[O:19][CH2:20][c:21]2[cH:22][cH:23][c:24]([N+:25](=[O:26])[O-:27])[cH:28][cH:29]2)[CH2:30]1 DUYAAUVXQSMXQP-UHFFFAOYSA-N.WGUOURMQGIGKSY-LSDHHAIUSA-N>>VIZOQLVOHUDVFK-HOTGVXAUSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:8]-[C:6](-[C;D1;H3:5])=[O;D1;H0:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C;D1;H3:5]-[C:6](=[O;D1;H0:7])-[SH;D1;+0:8] a81b1bece5973ff42d19ed9dab42c1db7893d5d289f7d1721994987db193d7d0 [N-]=[N+]=[C:7]([C:5]([O:4][CH2:3][CH:2]=[CH2:1])=[O:6])[C:8](=[O:9])[CH2:10][C@@H:11]1[C@H:12]([C@@H:13]([CH2:14][O:15][SiH:16]([CH3:17])[CH3:18])[C:19]([CH3:20])([CH3:21])[CH3:22])[C:23](=[O:24])[NH:25]1>CC(=O)O.CC(=O)O.ClCCl.[Rh+2]>[CH2:1]=[CH:2][CH2:3][O:4][C:5](=[O:6])[C@@H:7]1[C:8](=[O:9])[CH2:10][C@@H:11]2[C@H:12]([C@@H:13]([CH2:14][O:15][SiH:16]([CH3:17])[CH3:18])[C:19]([CH3:20])([CH3:21])[CH3:22])[C:23](=[O:24])[N:25]12 PFOFUEHHEBMALG-BZPMIXESSA-N>>VUVFHCJOLZVEBI-UXOAXIEHSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D3;+0:2]1-[C@H;D3;+0:1]-[N;H0;D3;+0:5]-[C@H;D3;+0:4]-[CH2;D2;+0:3]-1>>[N-]=[N+]=[C;H0;D3;+0:1]-[C;H0;D3;+0:2]-[CH2;D2;+0:3]-[C@H;D3;+0:4]-[NH;D2;+0:5] e45d8fb541af5caeba3455ffd0223c280c8d3bb03da9dbfdf10cfb9a23bd90b3 CS(=O)(=O)O[C@@H:4]1[CH2:5][CH2:6][N:7]([C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH2:18]1.[N-:1]=[N+:2]=[N-:3]>CN(C)C=O.[Na+]>[N-:1]=[N+:2]=[N:3][C@H:4]1[CH2:5][CH2:6][N:7]([C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH2:18]1 IVRMZWNICZWHMI-UHFFFAOYSA-N.LNRBIPMUYLVQFG-GFCCVEGCSA-N>>WEHHDTHUEKWVKL-NSHDSACASA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[N;H0;D2;+0:5]=[#7;+:6]=[N;-;D1;H0:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[N-;H0;D1:5]=[#7;+:6]=[N;-;D1;H0:7] cee6527eab5a54306a8d3e1cef9fc6df0aee5943199b78d40e3c41180b7edec1 N[C@H:5]([CH2:4][CH2:3][S:2][CH3:1])[C:7](=[O:8])[OH:9].[OH2:6]>O=NO.O=S(=O)(O)O.[Na+]>[CH3:1][S:2][CH2:3][CH2:4][C@@H:5]([OH:6])[C:7](=[O:8])[OH:9] FFEARJCKVFRZRR-SCSAIBSYSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>ONFOSYPQQXJWGS-SCSAIBSYSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[OH;D1;+0:6])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[OH2;D0;+0:6] 597e60c00d458940162d7a3f76139b2de64f6543c2b538d3961221d7df07e2ca Br[CH2:12][C@@H:2]([CH3:1])[CH2:3][O:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1.[CH:13](=[O:14])[C@H:15]([CH2:16][CH:17]1[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]1)[NH:23][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30]>CCOCC.Cl.[Mg]>[CH3:1][C@@H:2]([CH2:3][O:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[CH2:12][C@H:13]([OH:14])[C@H:15]([CH2:16][CH:17]1[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]1)[NH:23][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30] QVIBBFFDRDHFSJ-SNVBAGLBSA-N.WRSGJTAPAYTZOO-LBPRGKRZSA-N>>OTZILNFRNCTLFI-OIBXWCBGSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@@H;D3;+0:4](-[OH;D1;+0:5])-[CH2;D2;+0:1]-[C:2]>>Br-[CH2;D2;+0:1]-[C:2].[C:3]-[CH;D2;+0:4]=[O;H0;D1;+0:5] 5bf9aa6f809cb28ee6e0828d48d701645c63f6658fc2f6c81805ab3e25984959 [CH3:1][C@H:2]1[CH2:3][C@H:4]2[C@@H:5]3[CH2:6][CH:7]=[C:8]4[CH2:9][CH2:10][CH2:11][CH2:12][C@:13]4([CH3:14])[C@H:15]3[CH2:16][CH2:17][C@:18]2([CH3:19])[C:20]1=[O:21]>B.[Na+]>[CH3:1][C@H:2]1[CH2:3][C@H:4]2[C@@H:5]3[CH2:6][CH:7]=[C:8]4[CH2:9][CH2:10][CH2:11][CH2:12][C@:13]4([CH3:14])[C@H:15]3[CH2:16][CH2:17][C@:18]2([CH3:19])[C@H:20]1[OH:21] UDNUIMBLAFYVIQ-VDAUWTRLSA-N>>DPEAIHJGKMQPFY-YDSAWKJFSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d I[CH3:14].[CH3:1][C@H:2]1[CH2:3][CH2:4][C@@:5]2([CH3:6])[C:7](=[CH:8][CH2:9][C@H:10]3[C@@H:11]4[CH2:12][CH2:13][C:15](=[O:16])[C@@:17]4([CH3:18])[CH2:19][CH2:20][C@H:21]23)[CH2:22]1>C1CCOC1.CC(C)NC(C)C.CCCCCC.ClC(Cl)(Cl)Cl.O=C=O.[Li]CCCC>[CH3:1][C@H:2]1[CH2:3][CH2:4][C@@:5]2([CH3:6])[C:7](=[CH:8][CH2:9][C@H:10]3[C@@H:11]4[CH2:12][C@@H:13]([CH3:14])[C:15](=[O:16])[C@@:17]4([CH3:18])[CH2:19][CH2:20][C@H:21]23)[CH2:22]1 INQOMBQAUSQDDS-UHFFFAOYSA-N.PDSLFUNQCAQCJE-SWEGMTMGSA-N>>SRQCJJSYWRZVCR-RVEAUVSWSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:3](-[CH3;D1;+0:1])-[C:4]=[O;D1;H0:5]>>I-[CH3;D1;+0:1].[C:2]-[CH2;D2;+0:3]-[C:4]=[O;D1;H0:5] 85f3a646db1700cf53c5252c538172623fbd09b9b1006f0e1dd891880f7e277c [CH:1]#[C:2][C:3](=[O:4])[CH2:5][CH:6]1[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]1>CC1C(B2C3CCCC2CCC3)CC2C[C@@H]1C2(C)C.C[Si](C)(C)C#C[Si](C)(C)C.O=C(Cl)CC1CCCCC1>[CH:1]#[C:2][C@@H:3]([OH:4])[CH2:5][CH:6]1[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]1 OXYRAYVBFFVDTN-UHFFFAOYSA-N>>KKAIQVLSRFYLKK-SNVBAGLBSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]#[C;D1;H1:5]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]#[C;D1;H1:5] 625623d341b04518f7cb0de1284c1f1603684fc898d8fde967984432889bdc30 [CH3:1][CH2:2][C@@:3]12[CH2:4][CH2:5][C:6](=[O:7])[CH2:8][C@@:9]13[CH2:10][CH2:11][N:12]([CH2:13][CH:14]1[CH2:15][CH2:16]1)[C@@H:17]2[CH2:18][c:19]1[c:20]3[cH:21][c:22]([O:23][CH3:24])[cH:25][cH:26]1>CCO.O.B.[Na+]>[CH3:1][CH2:2][C@@:3]12[CH2:4][CH2:5][C@H:6]([OH:7])[CH2:8][C@@:9]13[CH2:10][CH2:11][N:12]([CH2:13][CH:14]1[CH2:15][CH2:16]1)[C@@H:17]2[CH2:18][c:19]1[c:20]3[cH:21][c:22]([O:23][CH3:24])[cH:25][cH:26]1 QZUGEMJOQQEJGY-XPWALMASSA-N>>VWQYECVFRWLDMH-OUFMZXHOSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 O=[C:18]1[C@@:2]2([CH3:1])[CH2:3][CH2:4][C@@H:5]3[c:6]4[c:7]([cH:8][cH:9][cH:10][cH:11]4)[CH2:12][CH2:13][C@H:14]3[C@@H:15]2[CH2:16][CH2:17]1.[NH2:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1>C1CCOC1.CC(=O)O.CO>[CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[c:6]4[c:7]([cH:8][cH:9][cH:10][cH:11]4)[CH2:12][CH2:13][C@H:14]3[C@@H:15]1[CH2:16][CH2:17][C@@H:18]2[NH:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1 LGHBWDKMGOIZKH-CBZIJGRNSA-N.WGQKYBSKWIADBV-UHFFFAOYSA-N>>JLDFJDZFZDXDFE-VAFBSOEGSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:1](-[C:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 8d7f71fe86028e9e12d66697fadec826dce8c59099c83dd66a3093c4f969778a O=[C:14]1[C@@:12]2([CH3:13])[CH2:11][CH2:10][C@@H:9]3[c:6]4[c:5]([cH:4][c:3]([O:2][CH3:1])[cH:8][cH:7]4)[CH2:30][CH2:29][C@H:28]3[C@@H:27]2[CH2:26][CH2:25]1.[NH2:15][CH2:16][CH2:17][c:18]1[cH:19][cH:20][c:21]([OH:22])[cH:23][cH:24]1>C1CCOC1.CC(=O)O.CCOC(C)=O.CO>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C@H:9]1[CH2:10][CH2:11][C@:12]3([CH3:13])[C@@H:14]([NH:15][CH2:16][CH2:17][c:18]4[cH:19][cH:20][c:21]([OH:22])[cH:23][cH:24]4)[CH2:25][CH2:26][C@H:27]3[C@@H:28]1[CH2:29][CH2:30]2 BCWWDWHFBMPLFQ-VXNCWWDNSA-N.DZGWFCGJZKJUFP-UHFFFAOYSA-N>>YQPJFGVVLLJSTR-VKINHPFQSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C:3])-[NH;D2;+0:5]-[C:4]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[C:4]-[NH2;D1;+0:5] a8e56c9c6336cfc3fc1d08acd8bbc81ff9882c9f18f2ba601555112e48f8efac O=[C:19]1[C@@:2]2([CH3:1])[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH2:8][C@H:9]4[CH2:10][CH2:11][CH2:12][CH2:13][C@:14]34[CH3:15])[C@@H:16]2[CH2:17][CH2:18]1.[NH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][NH2:27]>C1CCOC1.CC(=O)O.CO.BC#N.[Na+].[Na+].O>[CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH2:8][C@H:9]4[CH2:10][CH2:11][CH2:12][CH2:13][C@:14]34[CH3:15])[C@@H:16]1[CH2:17][CH2:18][C@@H:19]2[NH:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][NH2:27] NAQMVNRVTILPCV-UHFFFAOYSA-N.YJDYCULVYZDESB-HKQXQEGQSA-N>>XKKDLKGUMCPMQR-UOJKWVRNSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:1](-[C:3])-[NH;D2;+0:5]-[C:4]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[C:4]-[NH2;D1;+0:5] c2454aeb328665781ecf13b70416538e76f18f1493bca8d1b83cab39de9515bc CS(=O)(=O)O[C@@H:5]1[CH2:6][C@@H:7]([c:8]2[cH:9][s:10][c:11]([NH2:12])[n:13]2)[N:14]([C:15](=[O:16])[O:17][CH2:18][c:19]2[cH:20][cH:21][c:22]([N+:23](=[O:24])[O-:25])[cH:26][cH:27]2)[CH2:28]1.[CH3:1][C:2](=[O:3])[SH:4]>CCOC(C)=O.CN(C)C=O.O.[HH].[H][H].[Na+]>[CH3:1][C:2](=[O:3])[S:4][C@H:5]1[CH2:6][C@@H:7]([c:8]2[cH:9][s:10][c:11]([NH2:12])[n:13]2)[N:14]([C:15](=[O:16])[O:17][CH2:18][c:19]2[cH:20][cH:21][c:22]([N+:23](=[O:24])[O-:25])[cH:26][cH:27]2)[CH2:28]1 DUYAAUVXQSMXQP-UHFFFAOYSA-N.UBAQZQOAXMSLPV-OCCSQVGLSA-N>>FZERIGGBONPQSZ-ZFWWWQNUSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:8]-[C:6](-[C;D1;H3:5])=[O;D1;H0:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C;D1;H3:5]-[C:6](=[O;D1;H0:7])-[SH;D1;+0:8] a81b1bece5973ff42d19ed9dab42c1db7893d5d289f7d1721994987db193d7d0 [CH:1]#[C:2][C:3](=[O:4])[CH2:5][CH:6]1[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]1>CC1C(B2C3CCCC2CCC3)CC2C[C@@H]1C2(C)C.C[Si](C)(C)C#C[Si](C)(C)C.O=C(Cl)CC1CCCCC1>[CH:1]#[C:2][C@@H:3]([OH:4])[CH2:5][CH:6]1[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]1 OXYRAYVBFFVDTN-UHFFFAOYSA-N>>KKAIQVLSRFYLKK-SNVBAGLBSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]#[C;D1;H1:5]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]#[C;D1;H1:5] 8478184279fc2e13823593acd0d0082ed7ba9668bd5211c61664a700968c0f98 [CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C@@H:6]3[c:7]4[c:8]([cH:9][c:10]([O:11][CH3:12])[cH:13][cH:14]4)[CH2:15][CH2:16][C@H:17]3[C@@H:18]1[CH:19]=[CH:20][C:21]2=[O:22]>C1CCOC1.CCOC(C)=O.CO.O.O.O.O.O.O.O.B.[Ce+3].Cl.Cl.Cl.[Na+]>[CH3:1][CH2:2][C@:3]12[CH2:4][CH2:5][C@@H:6]3[c:7]4[c:8]([cH:9][c:10]([O:11][CH3:12])[cH:13][cH:14]4)[CH2:15][CH2:16][C@H:17]3[C@@H:18]1[CH:19]=[CH:20][C@@H:21]2[OH:22] MAIXNRFKRUQCGZ-XSYGEPLQSA-N>>QZNDMYQKEAEONA-SLHNCBLASA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[C:1]=[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 30b58d787d9916ad48be3323fde35e4d1c60b573ffde717577d2f36c035f619a CS(=O)(=O)O[C@@H:5]1[CH2:6][C@@H:7]([CH2:8][N:9]2[CH2:10][CH2:11][NH:12][C:13]2=[O:14])[N:15]([C:16](=[O:17])[O:18][CH2:19][c:20]2[cH:21][cH:22][c:23]([N+:24](=[O:25])[O-:26])[cH:27][cH:28]2)[CH2:29]1.[CH3:1][C:2]([OH:3])=[S:4]>CN(C)C=O.[K+]>[CH3:1][C:2](=[O:3])[S:4][C@H:5]1[CH2:6][C@@H:7]([CH2:8][N:9]2[CH2:10][CH2:11][NH:12][C:13]2=[O:14])[N:15]([C:16](=[O:17])[O:18][CH2:19][c:20]2[cH:21][cH:22][c:23]([N+:24](=[O:25])[O-:26])[cH:27][cH:28]2)[CH2:29]1 CKOMZZXVDIBHBO-LSDHHAIUSA-N.DUYAAUVXQSMXQP-UHFFFAOYSA-N>>JXNKXTQNLUPRGB-HOTGVXAUSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:8]-[C;H0;D3;+0:6](-[C;D1;H3:5])=[O;H0;D1;+0:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C;D1;H3:5]-[C;H0;D3;+0:6](-[OH;D1;+0:7])=[S;H0;D1;+0:8] 8096436b5e08800d1c7283ac35d0fd055841f606ca5d135aed3a4c3dc775190f CS(=O)(=O)O[C@@H:5]1[CH2:6][C@@H:7]([CH2:8][N:9]2[CH2:10][CH2:11][N:12]([CH3:13])[C:14]2=[O:15])[N:16]([C:17](=[O:18])[O:19][CH2:20][c:21]2[cH:22][cH:23][c:24]([N+:25](=[O:26])[O-:27])[cH:28][cH:29]2)[CH2:30]1.[CH3:1][C:2](=[O:3])[SH:4]>CN(C)C=O.[HH].[Na+]>[CH3:1][C:2](=[O:3])[S:4][C@H:5]1[CH2:6][C@@H:7]([CH2:8][N:9]2[CH2:10][CH2:11][N:12]([CH3:13])[C:14]2=[O:15])[N:16]([C:17](=[O:18])[O:19][CH2:20][c:21]2[cH:22][cH:23][c:24]([N+:25](=[O:26])[O-:27])[cH:28][cH:29]2)[CH2:30]1 DUYAAUVXQSMXQP-UHFFFAOYSA-N.LRBZUIBSRVLTCR-JKSUJKDBSA-N>>CPMICVVQSOBXJP-IRXDYDNUSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:8]-[C:6](-[C;D1;H3:5])=[O;D1;H0:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C;D1;H3:5]-[C:6](=[O;D1;H0:7])-[SH;D1;+0:8] a81b1bece5973ff42d19ed9dab42c1db7893d5d289f7d1721994987db193d7d0 CS(=O)(=O)O[C@@H:5]1[CH2:6][C@@H:7]([CH2:8][N:9]2[CH2:10][CH2:11][NH:12][C:13]2=[O:14])[N:15]([CH3:16])[CH2:17]1.[CH3:1][C:2]([OH:3])=[S:4]>CC#N.CCCC[N+](CCCC)(CCCC)CCCC>[CH3:1][C:2](=[O:3])[S:4][C@H:5]1[CH2:6][C@@H:7]([CH2:8][N:9]2[CH2:10][CH2:11][NH:12][C:13]2=[O:14])[N:15]([CH3:16])[CH2:17]1 CWMJDKGPNGMNAU-DTWKUNHWSA-N.DUYAAUVXQSMXQP-UHFFFAOYSA-N>>NFYPCWLSAKVLDT-UWVGGRQHSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:8]-[C;H0;D3;+0:6](-[C;D1;H3:5])=[O;H0;D1;+0:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C;D1;H3:5]-[C;H0;D3;+0:6](-[OH;D1;+0:7])=[S;H0;D1;+0:8] 8096436b5e08800d1c7283ac35d0fd055841f606ca5d135aed3a4c3dc775190f [CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C:7]([CH3:8])=[O:9]>C1CCOC1.Cl.O=C(O)[C@H](O)[C@@H](O)C(=O)O.B.[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C@@H:7]([CH3:8])[OH:9] XYIBRDXRRQCHLP-UHFFFAOYSA-N>>OMSUIQOIVADKIM-RXMQYKEDSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C:6]-[C@@H;D3;+0:7](-[C;D1;H3:8])-[OH;D1;+0:9]>>[C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C:6]-[C;H0;D3;+0:7](-[C;D1;H3:8])=[O;H0;D1;+0:9] bbb21099eb294f3913c12c84d48034ae11437e90cc44c8c1465c22111b52afc6 [CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6](=[O:7])[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1>C1CCOC1.Cl.O=C(O)[C@H](O)[C@@H](O)C(=O)O.[Na]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]([OH:7])[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1 QKLCQKPAECHXCQ-UHFFFAOYSA-N>>SAXHIDRUJXPDOD-SECBINFHSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C@H;D3;+0:6](-[OH;D1;+0:7])-[c:8]>>[C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[c:8] 38ef0ada95a072a831346afc7e59bd11cea2e457992c243050146c66a2feb915 N[C@@H:5]([CH2:4][CH:2]([CH3:1])[CH3:3])[C:7](=[O:8])[OH:9].[ClH:6]>NC(N)=O.O=[N+]([O-])O>[CH3:1][CH:2]([CH3:3])[CH2:4][C@H:5]([Cl:6])[C:7](=[O:8])[OH:9] ROHFNLRQFUQHCH-YFKPBYRVSA-N.VEXZGXHMUGYJMC-UHFFFAOYSA-N>>CBQBIPRPIHIKPW-YFKPBYRVSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[Cl;H0;D1;+0:6])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[ClH;D0;+0:6] 1bfe01a70244b4b5913d8bd43e9ddd3a234f263da8c38252e4f70264512d7d99 CS(=O)(=O)O[C@@H:5]1[CH2:6][C@@H:7]([CH2:8][n:9]2[cH:10][cH:11][n:12][cH:13]2)[N:14]([C:15](=[O:16])[O:17][CH2:18][c:19]2[cH:20][cH:21][c:22]([N+:23](=[O:24])[O-:25])[cH:26][cH:27]2)[CH2:28]1.[CH3:1][C:2](=[O:3])[SH:4]>CN(C)C=O.[HH].[Na+]>[CH3:1][C:2](=[O:3])[S:4][C@H:5]1[CH2:6][C@@H:7]([CH2:8][n:9]2[cH:10][cH:11][n:12][cH:13]2)[N:14]([C:15](=[O:16])[O:17][CH2:18][c:19]2[cH:20][cH:21][c:22]([N+:23](=[O:24])[O-:25])[cH:26][cH:27]2)[CH2:28]1 DUYAAUVXQSMXQP-UHFFFAOYSA-N.NZXHGPUUVIOSGB-JKSUJKDBSA-N>>KMYGUBYNZSIFBA-IRXDYDNUSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:8]-[C:6](-[C;D1;H3:5])=[O;D1;H0:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C;D1;H3:5]-[C:6](=[O;D1;H0:7])-[SH;D1;+0:8] a81b1bece5973ff42d19ed9dab42c1db7893d5d289f7d1721994987db193d7d0 CS(=O)(=O)O[C@@H:5]1[CH2:6][C@@H:7]([CH2:8][O:9][CH2:10][C:11]([NH2:12])=[O:13])[N:14]([C:15](=[O:16])[O:17][CH2:18][c:19]2[cH:20][cH:21][c:22]([N+:23](=[O:24])[O-:25])[cH:26][cH:27]2)[CH2:28]1.[CH3:1][C:2](=[O:3])[SH:4]>CN(C)C=O.O.[HH].[Na+]>[CH3:1][C:2](=[O:3])[S:4][C@H:5]1[CH2:6][C@@H:7]([CH2:8][O:9][CH2:10][C:11]([NH2:12])=[O:13])[N:14]([C:15](=[O:16])[O:17][CH2:18][c:19]2[cH:20][cH:21][c:22]([N+:23](=[O:24])[O-:25])[cH:26][cH:27]2)[CH2:28]1 DUYAAUVXQSMXQP-UHFFFAOYSA-N.MEMXXWYDOJPVBT-UONOGXRCSA-N>>LCBFZXJHFLFLQB-GJZGRUSLSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:8]-[C:6](-[C;D1;H3:5])=[O;D1;H0:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C;D1;H3:5]-[C:6](=[O;D1;H0:7])-[SH;D1;+0:8] a81b1bece5973ff42d19ed9dab42c1db7893d5d289f7d1721994987db193d7d0 CS(=O)(=O)O[C@@H:5]1[CH2:6][C@@H:7]([CH2:8][O:9][CH2:10][CH2:11][NH:12][C:13](=[O:14])[O:15][CH2:16][c:17]2[cH:18][cH:19][c:20]([N+:21](=[O:22])[O-:23])[cH:24][cH:25]2)[N:26]([C:27](=[O:28])[O:29][CH2:30][c:31]2[cH:32][cH:33][c:34]([N+:35](=[O:36])[O-:37])[cH:38][cH:39]2)[CH2:40]1.[CH3:1][C:2](=[O:3])[SH:4]>CN(C)C=O.O.[HH].[Na+]>[CH3:1][C:2](=[O:3])[S:4][C@H:5]1[CH2:6][C@@H:7]([CH2:8][O:9][CH2:10][CH2:11][NH:12][C:13](=[O:14])[O:15][CH2:16][c:17]2[cH:18][cH:19][c:20]([N+:21](=[O:22])[O-:23])[cH:24][cH:25]2)[N:26]([C:27](=[O:28])[O:29][CH2:30][c:31]2[cH:32][cH:33][c:34]([N+:35](=[O:36])[O-:37])[cH:38][cH:39]2)[CH2:40]1 AHCAJWQTSIGBJL-FCHUYYIVSA-N.DUYAAUVXQSMXQP-UHFFFAOYSA-N>>QOHAMUZSNISBPR-GOTSBHOMSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:8]-[C:6](-[C;D1;H3:5])=[O;D1;H0:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C;D1;H3:5]-[C:6](=[O;D1;H0:7])-[SH;D1;+0:8] a81b1bece5973ff42d19ed9dab42c1db7893d5d289f7d1721994987db193d7d0 [CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C:7]([CH3:8])=[O:9]>C1CCOC1.Cl.O=C(O)[C@H](O)[C@@H](O)C(=O)O.B.[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C@@H:7]([CH3:8])[OH:9] XYIBRDXRRQCHLP-UHFFFAOYSA-N>>OMSUIQOIVADKIM-RXMQYKEDSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C:6]-[C@H;D3;+0:7](-[C;D1;H3:8])-[OH;D1;+0:9]>>[C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C:6]-[C;H0;D3;+0:7](-[C;D1;H3:8])=[O;H0;D1;+0:9] 811c4d40f644988e478ae44f96428cdb9344f188862e684f75c42e22295e3173 [CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6](=[O:7])[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1>C1CCOC1.Cl.O=C(O)[C@H](O)[C@@H](O)C(=O)O.[Na]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]([OH:7])[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1 QKLCQKPAECHXCQ-UHFFFAOYSA-N>>SAXHIDRUJXPDOD-SECBINFHSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[c:8]>>[C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[c:8] 305564733bfba6f118f7f22ba309c872ed751bdb32e902b4bca723ff76b4a2e0 N[C@@H:5]([C@H:3]([CH2:2][CH3:1])[CH3:4])[C:7](=[O:8])[OH:9].[ClH:6]>CCOCC.O=NO.[Na+]>[CH3:1][CH2:2][C@H:3]([CH3:4])[C@H:5]([Cl:6])[C:7](=[O:8])[OH:9] AGPKZVBTJJNPAG-WHFBIAKZSA-N.VEXZGXHMUGYJMC-UHFFFAOYSA-N>>QMYSXXQDOZTXAE-WHFBIAKZSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[Cl;H0;D1;+0:6])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[ClH;D0;+0:6] 1bfe01a70244b4b5913d8bd43e9ddd3a234f263da8c38252e4f70264512d7d99 CS(=O)(=O)O[C@@H:5]1[CH2:6][C@@H:7]([CH2:8][O:9][CH2:10][CH2:11][F:12])[N:13]([C:14](=[O:15])[O:16][CH2:17][c:18]2[cH:19][cH:20][c:21]([N+:22](=[O:23])[O-:24])[cH:25][cH:26]2)[CH2:27]1.[CH3:1][C:2](=[O:3])[SH:4]>CC(C)(C)O.CN(C)C=O.[K+]>[CH3:1][C:2](=[O:3])[S:4][C@H:5]1[CH2:6][C@@H:7]([CH2:8][O:9][CH2:10][CH2:11][F:12])[N:13]([C:14](=[O:15])[O:16][CH2:17][c:18]2[cH:19][cH:20][c:21]([N+:22](=[O:23])[O-:24])[cH:25][cH:26]2)[CH2:27]1 DUYAAUVXQSMXQP-UHFFFAOYSA-N.GZFVLZYQXGGUMO-LSDHHAIUSA-N>>QDGSQZMWDPLPHU-HOTGVXAUSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:8]-[C:6](-[C;D1;H3:5])=[O;D1;H0:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C;D1;H3:5]-[C:6](=[O;D1;H0:7])-[SH;D1;+0:8] a81b1bece5973ff42d19ed9dab42c1db7893d5d289f7d1721994987db193d7d0 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][CH2:6][C@@H:7]([OH:8])[CH2:9][C:10](=[O:11])[CH2:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19]>CO>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][CH2:6][C@@H:7]([OH:8])[CH2:9][C@@H:10]([OH:11])[CH2:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19] KSZOEJXXVXHRBM-NSHDSACASA-N>>RHOWNROSYOZNHH-MNOVXSKESA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11] 0afd88cd782eb1bee9f12e6fbe748f36472b2ceb528af5741a258a3549fccbe3 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][CH2:6][C@@H:7]([OH:8])[CH2:9][C:10](=[O:11])[CH2:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19]>CO>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][CH2:6][C@@H:7]([OH:8])[CH2:9][C@H:10]([OH:11])[CH2:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19] KSZOEJXXVXHRBM-NSHDSACASA-N>>RHOWNROSYOZNHH-QWRGUYRKSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11] 0e1d69f48cbf8ac8f61d083080659de3e075286a2dc558bcf97b2d2221b4f6b3 [CH3:1][O:2][C:3](=[O:4])[CH2:5][C:6](=[O:7])[CH2:8][C@H:9]([OH:10])[CH2:11][O:12][C:13]([CH3:14])([CH3:15])[CH3:16]>CCN(CC)CC.CO.COC(C)=O>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@H:6]([OH:7])[CH2:8][C@H:9]([OH:10])[CH2:11][O:12][C:13]([CH3:14])([CH3:15])[CH3:16] WCUHXOWXKFEJOH-VIFPVBQESA-N>>HQKSGZZCEMBYEG-BDAKNGLRSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8] 6d22697717f18276a46a829d2506058ec35ca7c95a696f7fd2a8edc46f88faeb [CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6](-[c:7]2[cH:8][cH:9][c:10]([F:11])[cH:12][cH:13]2)[c:14](-[c:15]2[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]2)[n:22]1/[CH:23]=[CH:24]/[C@@H:25]([OH:26])[CH2:27][C:28](=[O:29])[CH2:30][C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37]>C1CCOC1.CCB(CC)CC.CO.B.[Na+]>[CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6](-[c:7]2[cH:8][cH:9][c:10]([F:11])[cH:12][cH:13]2)[c:14](-[c:15]2[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]2)[n:22]1/[CH:23]=[CH:24]/[C@@H:25]([OH:26])[CH2:27][C@@H:28]([OH:29])[CH2:30][C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37] NXSSAEJTWVFOPU-WOOPDLCSSA-N>>ACOGAUJDWUBKTJ-NVECHQRWSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11] 0afd88cd782eb1bee9f12e6fbe748f36472b2ceb528af5741a258a3549fccbe3 [CH3:1][O:2][C:3](=[O:4])[CH2:5][C:6](=[O:7])[CH2:8][C@H:9]([OH:10])/[CH:11]=[CH:12]/[n:13]1[c:14]([CH:15]([CH3:16])[CH3:17])[n:18][c:19](-[c:20]2[cH:21][cH:22][c:23]([F:24])[cH:25][cH:26]2)[c:27]1-[c:28]1[cH:29][cH:30][c:31]([F:32])[cH:33][cH:34]1>C1CCOC1.CCB(CC)CC.CCB(CC)OC.CCOC(C)=O.CO.B.[Na+]>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@H:6]([OH:7])[CH2:8][C@H:9]([OH:10])/[CH:11]=[CH:12]/[n:13]1[c:14]([CH:15]([CH3:16])[CH3:17])[n:18][c:19](-[c:20]2[cH:21][cH:22][c:23]([F:24])[cH:25][cH:26]2)[c:27]1-[c:28]1[cH:29][cH:30][c:31]([F:32])[cH:33][cH:34]1 MDMAPFAOGSTGAH-JNCYCUAHSA-N>>UVWIRSXRODMVES-ITWZMISCSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8] 6d22697717f18276a46a829d2506058ec35ca7c95a696f7fd2a8edc46f88faeb [CH3:1][CH:2]([CH3:3])[CH2:4][C:5](=[O:6])[C@H:7]([OH:8])[C@H:9]([CH2:10][CH:11]1[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1)[NH:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24]>C1CCOC1.B.[Na+]>[CH3:1][CH:2]([CH3:3])[CH2:4][C@H:5]([OH:6])[C@H:7]([OH:8])[C@H:9]([CH2:10][CH:11]1[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1)[NH:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24] GSYVERNLZURWPO-DOTOQJQBSA-N>>ZHAZNVULMASDSK-YESZJQIVSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [O:1]=[S:2]1(=[O:3])[CH2:4][CH2:5][C:6](=[O:7])[c:8]2[c:9]1[s:10][cH:11][cH:12]2>B.B.C1CCOC1.CSC.OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1.OC[C@@]1(c2ccccc2)CCCN1c1ccccc1>[O:1]=[S:2]1(=[O:3])[CH2:4][CH2:5][C@@H:6]([OH:7])[c:8]2[c:9]1[s:10][cH:11][cH:12]2 QFQIXUPQDKOJMH-UHFFFAOYSA-N>>MFTKAMUOHUPBRG-ZCFIWIBFSA-N 0.0 Unrecognized False reagent controlled False [#16;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#16;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 81140bf5833526736f9b408e7c6e9600135a22457445673ebc0febc54d5161b4 [CH3:1][C@H:2]([CH2:3][CH2:4][C:5](=[O:6])[OH:7])[C@H:8]1[CH2:9][CH2:10][C@H:11]2[C@H:12]3[C@H:13]([CH2:14][CH2:15][C@:16]12[CH3:17])[C@@:18]1([CH3:19])[CH2:20][CH2:21][C@@H:22]([OH:23])[CH2:24][C@H:25]1[C@@H:26]([F:27])[C:28]3=[O:29]>C1CCOC1.CCOC(C)=O.CO.Cl.O.B.[Na+]>[CH3:1][C@H:2]([CH2:3][CH2:4][C:5](=[O:6])[OH:7])[C@H:8]1[CH2:9][CH2:10][C@H:11]2[C@H:12]3[C@H:13]([CH2:14][CH2:15][C@:16]12[CH3:17])[C@@:18]1([CH3:19])[CH2:20][CH2:21][C@@H:22]([OH:23])[CH2:24][C@H:25]1[C@@H:26]([F:27])[C@@H:28]3[OH:29] FCSYKFMAWXEIEM-XBTSAHOMSA-N>>ZQZFTIODRGJPCF-NTPBNISXSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 Br[C:6]([C:4]([O:3][CH2:2][CH3:1])=[O:5])([F:7])[F:8].[CH:9](=[O:10])[C@H:11]([CH2:12][CH:13]([CH3:14])[CH3:15])[NH:16][C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23]>C1CCOC1.CCOC(C)=O.[Zn]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6]([F:7])([F:8])[C@H:9]([OH:10])[C@H:11]([CH2:12][CH:13]([CH3:14])[CH3:15])[NH:16][C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23] IRSJDVYTJUCXRV-UHFFFAOYSA-N.RQSBRFZHUKLKNO-VIFPVBQESA-N>>FYUWPLZXZNLSQM-WDEREUQCSA-N 0.0 Unrecognized False substrate controlled False [C:9]-[C@@H;D3;+0:10](-[OH;D1;+0:11])-[C;H0;D4;+0:1](-[F;D1;H0:2])(-[F;D1;H0:3])-[C:4](=[O;D1;H0:5])-[#8:6]-[C:7]-[C;D1;H3:8]>>Br-[C;H0;D4;+0:1](-[F;D1;H0:2])(-[F;D1;H0:3])-[C:4](=[O;D1;H0:5])-[#8:6]-[C:7]-[C;D1;H3:8].[C:9]-[CH;D2;+0:10]=[O;H0;D1;+0:11] ed813bbc99bc5ad0429bda8f21628adc38c782e9370bfabe60ff4c0b0bb9535d O=[C:19]1[C@@:2]2([CH3:1])[CH2:3][CH2:4][C@@H:5]3[c:6]4[c:7]([cH:8][c:9]([Cl:10])[cH:11][cH:12]4)[CH2:13][CH2:14][C@H:15]3[C@@H:16]2[CH2:17][CH2:18]1.[NH2:20][CH2:21][c:22]1[cH:23][c:24]([C:25]([F:26])([F:27])[F:28])[cH:29][cH:30][cH:31]1>C1CCOC1.CC(=O)O.CO.O.BC#N.[Na+].[Na+].O>[CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[c:6]4[c:7]([cH:8][c:9]([Cl:10])[cH:11][cH:12]4)[CH2:13][CH2:14][C@H:15]3[C@@H:16]1[CH2:17][CH2:18][C@@H:19]2[NH:20][CH2:21][c:22]1[cH:23][c:24]([C:25]([F:26])([F:27])[F:28])[cH:29][cH:30][cH:31]1 YKNZTUQUXUXTLE-UHFFFAOYSA-N.YPULCHNRARIBAN-CBZIJGRNSA-N>>QAOSZCSYBGZPNT-VAFBSOEGSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:1](-[C:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 8d7f71fe86028e9e12d66697fadec826dce8c59099c83dd66a3093c4f969778a O[C@@H:5]1[CH2:6][C@@H:7]([C:8](=[O:9])[N:10]([CH3:11])[CH3:12])[N:13]([CH3:14])[CH2:15]1.[CH3:1][C:2]([OH:3])=[S:4]>C1CCOC1.CCOC(=O)N=NC(=O)OCC.ClCCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][C:2](=[O:3])[S:4][C@H:5]1[CH2:6][C@@H:7]([C:8](=[O:9])[N:10]([CH3:11])[CH3:12])[N:13]([CH3:14])[CH2:15]1 DUYAAUVXQSMXQP-UHFFFAOYSA-N.UHIANEYUFGNAFT-RQJHMYQMSA-N>>PSPKNYIEDUMXIY-IUCAKERBSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:8]-[C;H0;D3;+0:6](-[C;D1;H3:5])=[O;H0;D1;+0:7]>>O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C;D1;H3:5]-[C;H0;D3;+0:6](-[OH;D1;+0:7])=[S;H0;D1;+0:8] 258aaca3de4bb9ebe7a1dc7729deb36fbb5b5c20cc04887912a0f6986471e8b2 O[C@@H:5]1[CH2:6][C@@H:7]([C:8]([NH2:9])=[O:10])[N:11]([CH3:12])[CH2:13]1.[CH3:1][C:2]([OH:3])=[S:4]>CCOC(=O)N=NC(=O)OCC.CN(C)C=O.ClCCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][C:2](=[O:3])[S:4][C@H:5]1[CH2:6][C@@H:7]([C:8]([NH2:9])=[O:10])[N:11]([CH3:12])[CH2:13]1 DUYAAUVXQSMXQP-UHFFFAOYSA-N.GZHZTHKUUHODEO-UHNVWZDZSA-N>>WZFCIBQWHHIPET-BQBZGAKWSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:8]-[C;H0;D3;+0:6](-[C;D1;H3:5])=[O;H0;D1;+0:7]>>O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C;D1;H3:5]-[C;H0;D3;+0:6](-[OH;D1;+0:7])=[S;H0;D1;+0:8] 258aaca3de4bb9ebe7a1dc7729deb36fbb5b5c20cc04887912a0f6986471e8b2 [CH3:1][CH:2]([CH3:3])[C@H:4]1[CH2:5][O:6][C:7](=[O:8])[N:9]1[C:10](=[O:11])[CH2:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[CH:20](=[O:21])[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1>C1CCOC1.CC(C)NC(C)C.CC(C)NC(C)C.CCOCC.Cl.[Li+].[Li]CCCC.N>[CH3:1][CH:2]([CH3:3])[C@H:4]1[CH2:5][O:6][C:7](=[O:8])[N:9]1[C:10](=[O:11])[C@H:12]([CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[C@@H:20]([OH:21])[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1 FXFNSZINJMOGDV-CYBMUJFWSA-N.HUMNYLRZRPPJDN-UHFFFAOYSA-N>>GJKYEKODCUDHOS-AQNXPRMDSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2](=[O;D1;H0:3])-[C@H;D3;+0:4](-[C:5])-[C@@H;D3;+0:7](-[OH;D1;+0:6])-[c:8]>>[#7:1]-[C:2](=[O;D1;H0:3])-[CH2;D2;+0:4]-[C:5].[O;H0;D1;+0:6]=[CH;D2;+0:7]-[c:8] 9b8568f19605f80b5b0cefe33315721aabbacf364ead509b138de934082afc1c [O:1]=[S:2]1(=[O:3])[CH2:4][CH2:5][C:6](=[O:7])[c:8]2[c:9]1[s:10][cH:11][cH:12]2>B.B.C1CCOC1.CSC.OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1.OC[C@@]1(c2ccccc2)CCCN1c1ccccc1>[O:1]=[S:2]1(=[O:3])[CH2:4][CH2:5][C@@H:6]([OH:7])[c:8]2[c:9]1[s:10][cH:11][cH:12]2 QFQIXUPQDKOJMH-UHFFFAOYSA-N>>MFTKAMUOHUPBRG-ZCFIWIBFSA-N 0.0 Unrecognized False reagent controlled True [#16;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#16;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 610e51149fb24fc55c3b7d341967cddf460dc8529068ac786a593a0608a512b9 [CH3:1][C@H:2]1[C:3](=[O:4])[CH2:5][CH2:6][C@H:7]2[C@:8]3([CH3:9])[CH2:10][CH2:11][C@@H:12]([CH3:13])[C@:14]([CH3:15])([c:16]4[cH:17][nH:18][c:19]5[c:20]4[cH:21][cH:22][c:23]([OH:24])[cH:25]5)[C@H:26]3[CH2:27][CH2:28][C@:29]12[CH3:30]>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.ClCCl.O.O=S(=O)(O)O.[Li+].[Mg+2]>[CH3:1][C@H:2]1[C@@H:3]([OH:4])[CH2:5][CH2:6][C@H:7]2[C@:8]3([CH3:9])[CH2:10][CH2:11][C@@H:12]([CH3:13])[C@:14]([CH3:15])([c:16]4[cH:17][nH:18][c:19]5[c:20]4[cH:21][cH:22][c:23]([OH:24])[cH:25]5)[C@H:26]3[CH2:27][CH2:28][C@:29]12[CH3:30] JZXJOUCZGSLUPN-PEZJXMIGSA-N>>WPLAHQSZCWGAKX-SYHUATLBSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d O[OH:23].[CH3:1][CH:2]([CH:3]1[O:4][CH2:5][C:6]([CH3:7])([CH3:8])[CH2:9][O:10]1)[C@H:11]1[CH2:12][CH2:13][C@H:14]2[C@@H:15]3[CH:16]=[CH:17][C:18]4=[CH:19][C:20](=[O:21])[CH:22]=[CH:24][C@:25]4([CH3:26])[C@H:27]3[CH2:28][CH2:29][C@:30]12[CH3:31]>CCCCCC.CCOC(C)=O.CO.O.[Na+].O>[CH3:1][CH:2]([CH:3]1[O:4][CH2:5][C:6]([CH3:7])([CH3:8])[CH2:9][O:10]1)[C@H:11]1[CH2:12][CH2:13][C@H:14]2[C@@H:15]3[CH:16]=[CH:17][C:18]4=[CH:19][C:20](=[O:21])[C@@H:22]5[O:23][C@@H:24]5[C@:25]4([CH3:26])[C@H:27]3[CH2:28][CH2:29][C@:30]12[CH3:31] GNZJTRSKTPXKHN-ICDBADHPSA-N.MHAJPDPJQMAIIY-UHFFFAOYSA-N>>AETYQMUYPMGSPW-UIUHHFGHSA-N 0.0 Unrecognized True substrate controlled False [C@H;D3;+0:2]1-[C@H;D3;+0:3]-[O;H0;D2;+0:1]-1>>O-[OH;D1;+0:1].[CH;D2;+0:2]=[CH;D2;+0:3] 9740534d6e53603ec0885d1a62723b33e81cf64c2a5287ad4a8fbbf667c542ac O[OH:20].[CH3:1][O:2][CH:3]([O:4][CH3:5])[CH:6]([CH3:7])[C@H:8]1[CH2:9][CH2:10][C@H:11]2[C@@H:12]3[CH:13]=[CH:14][C:15]4=[CH:16][C:17](=[O:18])[CH:19]=[CH:21][C@:22]4([CH3:23])[C@H:24]3[CH2:25][CH2:26][C@:27]12[CH3:28]>CO.[Na+].O>[CH3:1][O:2][CH:3]([O:4][CH3:5])[CH:6]([CH3:7])[C@H:8]1[CH2:9][CH2:10][C@H:11]2[C@@H:12]3[CH:13]=[CH:14][C:15]4=[CH:16][C:17](=[O:18])[C@@H:19]5[O:20][C@@H:21]5[C@:22]4([CH3:23])[C@H:24]3[CH2:25][CH2:26][C@:27]12[CH3:28] IJGJVNXHYKEOMD-LRJZEOFESA-N.MHAJPDPJQMAIIY-UHFFFAOYSA-N>>KNERUXJAWDBLGS-JRPJMUPFSA-N 0.0 Unrecognized True substrate controlled False [C@H;D3;+0:2]1-[C@H;D3;+0:3]-[O;H0;D2;+0:1]-1>>O-[OH;D1;+0:1].[CH;D2;+0:2]=[CH;D2;+0:3] 9740534d6e53603ec0885d1a62723b33e81cf64c2a5287ad4a8fbbf667c542ac [CH3:1][CH:2]([CH:3]1[O:4][CH2:5][C:6]([CH3:7])([CH3:8])[CH2:9][O:10]1)[C@H:11]1[CH2:12][CH2:13][C@H:14]2[C@@H:15]3[CH:16]=[CH:17][C:18]4=[CH:19][C:20](=[O:21])[C@@H:22]5[O:23][C@@H:24]5[C@:25]4([CH3:26])[C@H:27]3[CH2:28][CH2:29][C@:30]12[CH3:31]>CCO.Cl.O.B.[Na+]>[CH3:1][CH:2]([CH:3]1[O:4][CH2:5][C:6]([CH3:7])([CH3:8])[CH2:9][O:10]1)[C@H:11]1[CH2:12][CH2:13][C@H:14]2[C@@H:15]3[CH:16]=[CH:17][C:18]4=[CH:19][C@H:20]([OH:21])[C@@H:22]5[O:23][C@@H:24]5[C@:25]4([CH3:26])[C@H:27]3[CH2:28][CH2:29][C@:30]12[CH3:31] AETYQMUYPMGSPW-UIUHHFGHSA-N>>SERSOOYNJKGSGB-CNJOQXDYSA-N 0.0 Unrecognized False substrate controlled False [#8:1]-[C:2]-[C@@H;D3;+0:3](-[OH;D1;+0:4])-[C:5]=[C:6]>>[#8:1]-[C:2]-[C;H0;D3;+0:3](=[O;H0;D1;+0:4])-[C:5]=[C:6] 2540885e1ef7b37892722e8d387c0d3bd749e315139e74bbf1759fd8656e878a [CH3:1][CH:2]([CH:3]1[O:4][CH2:5][CH2:6][O:7]1)[C@H:8]1[CH2:9][CH2:10][C@H:11]2[C@@H:12]3[CH:13]=[CH:14][C:15]4=[CH:16][C:17](=[O:18])[C@@H:19]5[O:20][C@@H:21]5[C@:22]4([CH3:23])[C@H:24]3[CH2:25][CH2:26][C@:27]12[CH3:28]>C1CCOC1.CC(C)C[Al+]CC(C)C.Cc1ccccc1.[HH]>[CH3:1][CH:2]([CH:3]1[O:4][CH2:5][CH2:6][O:7]1)[C@H:8]1[CH2:9][CH2:10][C@H:11]2[C@@H:12]3[CH:13]=[CH:14][C:15]4=[CH:16][C@H:17]([OH:18])[C@@H:19]5[O:20][C@@H:21]5[C@:22]4([CH3:23])[C@H:24]3[CH2:25][CH2:26][C@:27]12[CH3:28] FLGTXYKQUOAFJI-JRPJMUPFSA-N>>SDEHFDAJDRCJMZ-SABHZSNWSA-N 0.0 Unrecognized False substrate controlled False [#8:1]-[C:2]-[C@@H;D3;+0:3](-[OH;D1;+0:4])-[C:5]=[C:6]>>[#8:1]-[C:2]-[C;H0;D3;+0:3](=[O;H0;D1;+0:4])-[C:5]=[C:6] 2540885e1ef7b37892722e8d387c0d3bd749e315139e74bbf1759fd8656e878a [CH3:1][O:2][CH:3]([O:4][CH3:5])[CH:6]([CH3:7])[C@H:8]1[CH2:9][CH2:10][C@H:11]2[C@@H:12]3[CH:13]=[CH:14][C:15]4=[CH:16][C:17](=[O:18])[C@@H:19]5[O:20][C@@H:21]5[C@:22]4([CH3:23])[C@H:24]3[CH2:25][CH2:26][C@:27]12[CH3:28]>C1CCOC1.CCB(CC)CC.[Na+]>[CH3:1][O:2][CH:3]([O:4][CH3:5])[CH:6]([CH3:7])[C@H:8]1[CH2:9][CH2:10][C@H:11]2[C@@H:12]3[CH:13]=[CH:14][C:15]4=[CH:16][C@H:17]([OH:18])[C@@H:19]5[O:20][C@@H:21]5[C@:22]4([CH3:23])[C@H:24]3[CH2:25][CH2:26][C@:27]12[CH3:28] KNERUXJAWDBLGS-JRPJMUPFSA-N>>AZPHVNRFYBTEIF-SABHZSNWSA-N 0.0 Unrecognized False substrate controlled False [#8:1]-[C:2]-[C@@H;D3;+0:3](-[OH;D1;+0:4])-[C:5]=[C:6]>>[#8:1]-[C:2]-[C;H0;D3;+0:3](=[O;H0;D1;+0:4])-[C:5]=[C:6] 2540885e1ef7b37892722e8d387c0d3bd749e315139e74bbf1759fd8656e878a [C:3]1(=[O:4])[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C@H:11]4[CH2:12][CH:13]=[CH:14][CH2:15][C@@H:16]4[C@H:17]3[CH2:18][CH2:19][C@:20]12[CH3:21].[CH:1]#[CH:2]>C1CCOC1.CCOCC.CC[Mg]Br.O.Cl.N>[CH:1]#[C:2][C@:3]1([OH:4])[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C@H:11]4[CH2:12][CH:13]=[CH:14][CH2:15][C@@H:16]4[C@H:17]3[CH2:18][CH2:19][C@:20]12[CH3:21] HSFWRNGVRCDJHI-UHFFFAOYSA-N.OGAMASTWJHVWHZ-IDUQQSTBSA-N>>COVVEVFHBBTMCI-SXJNSPEGSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@;H0;D4;+0:4](-[C:5])(-[OH;D1;+0:6])-[C;H0;D2;+0:2]#[C;D1;H1:1]>>[C;D1;H1:1]#[CH;D1;+0:2].[C:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 8104d78889a291ce07e1e8832d914a004d1bae693e6a56e08d7d7a5cf3b0db63 [CH3:1][C:2](=[O:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C@H:11]4[CH2:12][C:13](=[O:14])[CH2:15][CH2:16][C@:17]4([CH3:18])[C@H:19]3[CH2:20][CH2:21][C@:22]12[CH3:23]>C1CCOC1.CCCCCB(CCCCC)CCCCC.ClC(Cl)Cl.[K+]>[CH3:1][C:2](=[O:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C@H:11]4[CH2:12][C@H:13]([OH:14])[CH2:15][CH2:16][C@:17]4([CH3:18])[C@H:19]3[CH2:20][CH2:21][C@:22]12[CH3:23] XMRPGKVKISIQBV-BJMCWZGWSA-N>>AURFZBICLPNKBZ-SYBPFIFISA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH2:1]=[CH:2][C:3](=[O:4])[C@H:5]([CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[NH:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20]>CCCCCC.CCO.CCOC(C)=O.CO.ClCCl.O.O.O.O.O.O.O.B.[Ce+3].Cl.Cl.Cl.[Na+]>[CH2:1]=[CH:2][C@@H:3]([OH:4])[C@H:5]([CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[NH:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20] YAABAAPIHZWIND-ZDUSSCGKSA-N>>FNVDFPYKWITMGQ-UONOGXRCSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]=[C;D1;H2:5]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]=[C;D1;H2:5] 30b58d787d9916ad48be3323fde35e4d1c60b573ffde717577d2f36c035f619a [CH2:1]=[CH:2][C:3](=[O:4])[C@H:5]([CH2:6][CH:7]([CH3:8])[CH3:9])[NH:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17]>C1CCOC1.CC(C)C[Al+]CC(C)C.[HH]>[CH2:1]=[CH:2][C@@H:3]([OH:4])[C@H:5]([CH2:6][CH:7]([CH3:8])[CH3:9])[NH:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17] XUCXBKHVTQGMEO-JTQLQIEISA-N>>HFORXYBQJVPDTQ-WDEREUQCSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]=[C;D1;H2:5]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]=[C;D1;H2:5] 30b58d787d9916ad48be3323fde35e4d1c60b573ffde717577d2f36c035f619a Br[CH2:19][CH2:18][CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][O:8][Si:5]([C:2]([CH3:1])([CH3:3])[CH3:4])([CH3:6])[CH3:7].[CH:20]1=[CH:21][C:22]2=[CH:23][C:24](=[O:25])[CH2:26][CH2:27][C@@H:28]2[C@H:29]2[CH2:30][CH2:31][C@:32]3([CH3:33])[C:34](=[O:35])[CH2:36][CH2:37][C@H:38]3[C@H:39]12>C1CCOC1.CC(=O)O.[Cu]I.[Mg]>[CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C@@H:20]1[CH2:21][C:22]2=[CH:23][C:24](=[O:25])[CH2:26][CH2:27][C@@H:28]2[C@H:29]2[CH2:30][CH2:31][C@:32]3([CH3:33])[C:34](=[O:35])[CH2:36][CH2:37][C@H:38]3[C@H:39]12 GKSFRYHLOMZMFQ-QXUSFIETSA-N.OLHXONQUABFOJU-UHFFFAOYSA-N>>CQWYHZPFHZDWQV-FOIDXMODSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@@H;D3;+0:6](-[C:7])-[CH2;D2;+0:5]-[C:4]=[C:3]>>Br-[CH2;D2;+0:1]-[C:2].[C:3]=[C:4]-[CH;D2;+0:5]=[CH;D2;+0:6]-[C:7] 5e7751c0adde1a0dcf941758c4b9c1634d1e3dbe96708369c04f266489519753 [CH3:1][CH2:2][CH2:3][CH2:4][N:5]([CH3:6])[C:7](=[O:8])[CH2:9][S:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][O:16][c:17]1[cH:18][cH:19][c:20]([C@H:21]2[CH2:22][C@:23]3([CH3:24])[C:25](=[O:26])[CH2:27][CH2:28][C@H:29]3[C@@H:30]3[CH2:31][CH2:32][c:33]4[c:34]([cH:35][cH:36][c:37]([OH:38])[cH:39]4)[C@@H:40]23)[cH:41][cH:42]1>CO>[CH3:1][CH2:2][CH2:3][CH2:4][N:5]([CH3:6])[C:7](=[O:8])[CH2:9][S:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][O:16][c:17]1[cH:18][cH:19][c:20]([C@H:21]2[CH2:22][C@:23]3([CH3:24])[C@@H:25]([OH:26])[CH2:27][CH2:28][C@H:29]3[C@@H:30]3[CH2:31][CH2:32][c:33]4[c:34]([cH:35][cH:36][c:37]([OH:38])[cH:39]4)[C@@H:40]23)[cH:41][cH:42]1 KUOQAYIXQVRJMF-XKRAYXRGSA-N>>SMZZRUZIOSLOJZ-UHWPZJLGSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d N[C@H:4]([C:2](=[O:1])[OH:3])[CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[OH2:5]>O=NO.O=S(=O)(O)O.[Na+]>[O:1]=[C:2]([OH:3])[C@@H:4]([OH:5])[CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1 COLNVLDHVKWLRT-QMMMGPOBSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>VOXXWSYKYCBWHO-QMMMGPOBSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[OH;D1;+0:6])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[OH2;D0;+0:6] 3b2930445911a30f6eef1993b611280cb26ac438bc2995944b0d46cd68ec10e9 [O:1]=[C:2]([NH:3][C@@H:4]([CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[C:12](=[O:13])[CH2:14][Cl:15])[O:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1>C1CCOC1.CO.ClC(Cl)Cl.B.[Na+]>[O:1]=[C:2]([NH:3][C@@H:4]([CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[C@H:12]([OH:13])[CH2:14][Cl:15])[O:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1 OYHLRJGDELITAF-INIZCTEOSA-N>>YNJAOKKAXVGEIH-DLBZAZTESA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 Br[CH2:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24].[CH3:1][C@@H:2]1[C@H:3]([c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9]2)[O:10][C:11](=[O:12])[N:13]1[C:14](=[O:15])[CH2:16][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>C1CCOC1>[CH3:1][C@@H:2]1[C@H:3]([c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9]2)[O:10][C:11](=[O:12])[N:13]1[C:14](=[O:15])[C@H:16]([CH2:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1 BNWCETAHAJSBFG-UHFFFAOYSA-N.QWYOTPSJSUZQRW-RDTXWAMCSA-N>>IAZXBQNWOOASEL-PIPMEXSNSA-N 0.0 Unrecognized False substrate controlled False [#7:9]-[C:10](=[O;D1;H0:11])-[C@@H;D3;+0:12](-[C:13])-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8]>>Br-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8].[#7:9]-[C:10](=[O;D1;H0:11])-[CH2;D2;+0:12]-[C:13] a722e3732220cc0dd3ad0db5e2d7ebdb7f98bc5cba08db31006e3b8456788b66 N[C@@H:4]([C:2](=[O:1])[OH:3])[CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[OH2:5]>O=NO.O=S(=O)(O)O.[Na+]>[O:1]=[C:2]([OH:3])[C@H:4]([OH:5])[CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1 COLNVLDHVKWLRT-MRVPVSSYSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>VOXXWSYKYCBWHO-MRVPVSSYSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[OH;D1;+0:6])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[OH2;D0;+0:6] 597e60c00d458940162d7a3f76139b2de64f6543c2b538d3961221d7df07e2ca [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C:8](=[O:9])/[CH:10]=[CH:11]/[C@H:12]1[C@H:13]([O:14][C:15](=[O:16])[c:17]2[cH:18][cH:19][c:20](-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:27][cH:28]2)[CH2:29][C@@H:30]2[O:31][C:32](=[O:33])[CH2:34][C@H:35]12>C1CCOC1.CO.B.[Ce+3].Cl.Cl.Cl.[Na+]>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C@H:8]([OH:9])/[CH:10]=[CH:11]/[C@H:12]1[C@H:13]([O:14][C:15](=[O:16])[c:17]2[cH:18][cH:19][c:20](-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:27][cH:28]2)[CH2:29][C@@H:30]2[O:31][C:32](=[O:33])[CH2:34][C@H:35]12 ILPVHYHYZKZHPR-CUWXCLFHSA-N>>RTGJDBBICMUAFH-IIKMMQDZSA-N 0.0 Unrecognized False substrate controlled False [C:1]/[C:2]=[C:3]/[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[C:1]/[C:2]=[C:3]/[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] aa0c5d364c7b0880336e4d2a527b429971b8f795c3ee991061e4feff1f6058c0 CS(=O)(=O)O[C@@H:5]1[CH2:6][C@@H:7]([CH2:8][N:9]2[CH2:10][CH2:11][CH2:12][n:13]3[n:14][cH:15][cH:16][c:17]32)[N:18]([C:19](=[O:20])[O:21][CH2:22][c:23]2[cH:24][cH:25][c:26]([N+:27](=[O:28])[O-:29])[cH:30][cH:31]2)[CH2:32]1.[CH3:1][C:2](=[O:3])[SH:4]>CN(C)C=O.[HH].[Na+]>[CH3:1][C:2](=[O:3])[S:4][C@H:5]1[CH2:6][C@@H:7]([CH2:8][N:9]2[CH2:10][CH2:11][CH2:12][n:13]3[n:14][cH:15][cH:16][c:17]32)[N:18]([C:19](=[O:20])[O:21][CH2:22][c:23]2[cH:24][cH:25][c:26]([N+:27](=[O:28])[O-:29])[cH:30][cH:31]2)[CH2:32]1 DUYAAUVXQSMXQP-UHFFFAOYSA-N.NOIFDBUSPCCGIG-ZWKOTPCHSA-N>>IKSBIZXCTWWFGI-OALUTQOASA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:8]-[C:6](-[C;D1;H3:5])=[O;D1;H0:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C;D1;H3:5]-[C:6](=[O;D1;H0:7])-[SH;D1;+0:8] a81b1bece5973ff42d19ed9dab42c1db7893d5d289f7d1721994987db193d7d0 CO[C@H:7]1[C:6](=[C:8]=[O:9])[C@H:5]([NH:4][C:2]([CH3:1])=[O:3])[c:19]2[c:12]([cH:13][c:14]([Cl:15])[cH:16][c:17]2[Cl:18])[NH:11]1.[OH2:10]>CO.Cl.[Li+].O>[CH3:1][C:2](=[O:3])[NH:4][C@H:5]1[CH2:6][C@H:7]([C:8](=[O:9])[OH:10])[NH:11][c:12]2[cH:13][c:14]([Cl:15])[cH:16][c:17]([Cl:18])[c:19]21 XLYOFNOQVPJJNP-UHFFFAOYSA-N.XVQAIZVHKYHOCY-STQMWFEESA-N>>MRSNQAYYAZMIFI-VHSXEESVSA-N 0.0 Unrecognized False stereospecific False [#7:10]-[C:9]1-[CH2;D2;+0:11]-[C@H;D3;+0:1](-[C;H0;D3;+0:12](=[O;D1;H0:13])-[OH;D1;+0:14])-[#7:2]-[c:3]2:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:2-1>>C-O-[C@@H;D3;+0:1]1-[#7:2]-[c:3]2:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:2-[C:9](-[#7:10])-[C;H0;D3;+0:11]-1=[C;H0;D2;+0:12]=[O;D1;H0:13].[OH2;D0;+0:14] e13901c244cef3155878d14d72e6852543728f815e13e757378c7f5d2d8e57b0 CO[C@H:8]1[C:7](=[C:9]=[O:11])[C@H:6]([NH:5][S:2]([CH3:1])(=[O:3])=[O:4])[c:20]2[c:13]([cH:14][c:15]([Cl:16])[cH:17][c:18]2[Cl:19])[NH:12]1.[OH2:10]>C1CCOC1.O.[Li+]>[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][C@H:6]1[CH2:7][C@H:8]([C:9](=[O:10])[OH:11])[NH:12][c:13]2[cH:14][c:15]([Cl:16])[cH:17][c:18]([Cl:19])[c:20]21 LJWAPDMILHZXHV-RYUDHWBXSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>SUPITBJPZHKMJH-DTWKUNHWSA-N 0.0 Unrecognized False stereospecific False [#7:10]-[C:9]1-[CH2;D2;+0:11]-[C@H;D3;+0:1](-[C;H0;D3;+0:12](=[O;H0;D1;+0:14])-[OH;D1;+0:13])-[#7:2]-[c:3]2:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:2-1>>C-O-[C@@H;D3;+0:1]1-[#7:2]-[c:3]2:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:2-[C:9](-[#7:10])-[C;H0;D3;+0:11]-1=[C;H0;D2;+0:12]=[O;H0;D1;+0:13].[OH2;D0;+0:14] e13901c244cef3155878d14d72e6852543728f815e13e757378c7f5d2d8e57b0 CO[C@H:13]1[C:12](=[C:14]=[O:15])[C@H:11]([NH:10][C:2](=[O:1])[CH2:3][c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9]2)[c:25]2[c:18]([cH:19][c:20]([Cl:21])[cH:22][c:23]2[Cl:24])[NH:17]1.[OH2:16]>C1CCOC1.[Li+].O>[O:1]=[C:2]([CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[NH:10][C@H:11]1[CH2:12][C@H:13]([C:14](=[O:15])[OH:16])[NH:17][c:18]2[cH:19][c:20]([Cl:21])[cH:22][c:23]([Cl:24])[c:25]21 LJFOOPMGKCVWDY-OALUTQOASA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>NYBZRUOSBRYIDG-LSDHHAIUSA-N 0.0 Unrecognized False stereospecific False [#7:10]-[C:9]1-[CH2;D2;+0:11]-[C@H;D3;+0:1](-[C;H0;D3;+0:12](=[O;D1;H0:13])-[OH;D1;+0:14])-[#7:2]-[c:3]2:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:2-1>>C-O-[C@@H;D3;+0:1]1-[#7:2]-[c:3]2:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:2-[C:9](-[#7:10])-[C;H0;D3;+0:11]-1=[C;H0;D2;+0:12]=[O;D1;H0:13].[OH2;D0;+0:14] e13901c244cef3155878d14d72e6852543728f815e13e757378c7f5d2d8e57b0 [CH3:1][C:2](=[O:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH:10]=[C:11]4[CH2:12][C@@H:13]([OH:14])[CH2:15][CH2:16][C@:17]4([CH3:18])[C@H:19]3[CH2:20][CH2:21][C@:22]12[CH3:23]>CCO.[H][H].[Pd]>[CH3:1][C:2](=[O:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C@H:11]4[CH2:12][C@@H:13]([OH:14])[CH2:15][CH2:16][C@:17]4([CH3:18])[C@H:19]3[CH2:20][CH2:21][C@:22]12[CH3:23] ORNBQBCIOKFOEO-QGVNFLHTSA-N>>AURFZBICLPNKBZ-FZCSVUEKSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[CH2;D2;+0:4]-[C:5]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[CH;D2;+0:4]-[C:5] 05675f9eecea9fed6ca08fc4581511e42ec4fea0ca77351e260a499df9546024 O=C(O[OH:14])c1cccc(Cl)c1.[CH3:1][C:2](=[O:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C@H:11]4[CH2:12][CH:13]=[CH:15][CH2:16][C@:17]4([CH3:18])[C@H:19]3[CH2:20][CH2:21][C@:22]12[CH3:23]>ClC(Cl)Cl>[CH3:1][C:2](=[O:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C@H:11]4[CH2:12][C@@H:13]5[O:14][C@@H:15]5[CH2:16][C@:17]4([CH3:18])[C@H:19]3[CH2:20][CH2:21][C@:22]12[CH3:23] NHQDETIJWKXCTC-UHFFFAOYSA-N.PERPPAKFLWZECF-QYYVTAPASA-N>>UCSWPLHVWDXPMC-WVFTZONGSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3]1-[O;H0;D2;+0:1]-[C@H;D3;+0:4]-1-[C:5]>>Cl-c1:c:c:c:c(-C(=O)-O-[OH;D1;+0:1]):c:1.[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5] c347e171e5b6b45a33e6b67f722aa99cc6e0f8560df6c504bf73b47d0d8c6558 [CH3:1][C:2](=[O:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C@H:11]4[CH2:12][C@H:13]([OH:14])[CH2:15][CH2:16][C@:17]4([CH3:18])[C@H:19]3[CH2:20][CH2:21][C@:22]12[CH3:23]>CO.ClCCl.B.[Na+]>[CH3:1][C@@H:2]([OH:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C@H:11]4[CH2:12][C@H:13]([OH:14])[CH2:15][CH2:16][C@:17]4([CH3:18])[C@H:19]3[CH2:20][CH2:21][C@:22]12[CH3:23] AURFZBICLPNKBZ-SYBPFIFISA-N>>YWYQTGBBEZQBGO-HZCKZVNYSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C;D1;H3:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [C:3]1(=[O:4])[CH:5]=[CH:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C:11]4=[CH:12][C:13]5([CH2:14][CH2:15][C@@H:16]4[C@H:17]3[C:18](=[CH2:19])[CH2:20][C@:21]12[CH3:22])[S:23][CH2:24][CH2:25][S:26]5.[CH:1]#[CH:2]>C1CCOC1.O.Cl.[K].[Na+]>[CH:1]#[C:2][C@:3]1([OH:4])[CH:5]=[CH:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C:11]4=[CH:12][C:13]5([CH2:14][CH2:15][C@@H:16]4[C@H:17]3[C:18](=[CH2:19])[CH2:20][C@:21]12[CH3:22])[S:23][CH2:24][CH2:25][S:26]5 HSFWRNGVRCDJHI-UHFFFAOYSA-N.KJRNSWRMVRZPSG-CAVMOMJPSA-N>>FUHJQESBVJJERX-BPIQYHPVSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@@;H0;D4;+0:4](-[OH;D1;+0:5])(-[C:6]=[C:7])-[C;H0;D2;+0:2]#[C;D1;H1:1]>>[C;D1;H1:1]#[CH;D1;+0:2].[C:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6]=[C:7] 67bb936a200fa891894464355ecabf5eadf41d18fbf3a2fba72426cd7bfaed61 N[C@@H:4]([C:2](=[O:1])[OH:3])[CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[BrH:5]>O.O=NO.[Na+]>[O:1]=[C:2]([OH:3])[C@H:4]([Br:5])[CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1 COLNVLDHVKWLRT-MRVPVSSYSA-N.CPELXLSAUQHCOX-UHFFFAOYSA-N>>WDRSCFNERFONKU-MRVPVSSYSA-N 0.0 Unrecognized False stereospecific False [Br;H0;D1;+0:6]-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[BrH;D0;+0:6] ac8d916db1d5034b837f02d3a0ad72568c1299c3b09dba63fc44391a52faf6f6 N[C@H:4]([C:2](=[O:1])[OH:3])[CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[BrH:5]>O.O=NO.O=S(=O)(O)O.[Na+]>[O:1]=[C:2]([OH:3])[C@@H:4]([Br:5])[CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1 COLNVLDHVKWLRT-QMMMGPOBSA-N.CPELXLSAUQHCOX-UHFFFAOYSA-N>>WDRSCFNERFONKU-QMMMGPOBSA-N 0.0 Unrecognized False stereospecific False [Br;H0;D1;+0:6]-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[BrH;D0;+0:6] 725b99ce5395867b212156ab1585cf7caca701dd3055539d65ad5fa62af6db35 CC(=O)O[C@@H:8]1[O:7][C@H:6]([CH2:5][O:4][C:2]([CH3:1])=[O:3])[C@@H:26]([O:27][C:28]([CH3:29])=[O:30])[C@H:21]1[O:22][C:23]([CH3:24])=[O:25].[n:9]1[c:10]([Cl:11])[nH:12][c:13]2[c:14]1[cH:15][c:16]([Cl:17])[cH:18][c:19]2[Cl:20]>CC#N.CCOC(C)=O.C[Si](C)(C)OS(=O)(=O)C(F)(F)F>[CH3:1][C:2](=[O:3])[O:4][CH2:5][C@H:6]1[O:7][C@@H:8]([n:9]2[c:10]([Cl:11])[n:12][c:13]3[c:14]2[cH:15][c:16]([Cl:17])[cH:18][c:19]3[Cl:20])[C@H:21]([O:22][C:23]([CH3:24])=[O:25])[C@@H:26]1[O:27][C:28]([CH3:29])=[O:30] BOSXUUUAOBZQGK-UHFFFAOYSA-N.IHNHAHWGVLXCCI-FDYHWXHSSA-N>>OEYFMLHQDFXZJF-MWQQHZPXSA-N 0.0 Unrecognized False stereospecific False [C:6]-[#8:5]-[C:4]-[C:3]1-[#8:2]-[C@@H;D3;+0:1](-[n;H0;D3;+0:18]2:[c:17]:[n;H0;D2;+0:21]:[c:20]:[c:19]:2)-[C:12](-[#8:13]-[C:14](-[C;D1;H3:15])=[O;D1;H0:16])-[C:7]-1-[#8:8]-[C:9](-[C;D1;H3:10])=[O;D1;H0:11]>>C-C(=O)-O-[C@@H;D3;+0:1]1-[#8:2]-[C:3](-[C:4]-[#8:5]-[C:6])-[C:7](-[#8:8]-[C:9](-[C;D1;H3:10])=[O;D1;H0:11])-[C:12]-1-[#8:13]-[C:14](-[C;D1;H3:15])=[O;D1;H0:16].[c:17]1:[n;H0;D2;+0:18]:[c:19]:[c:20]:[nH;D2;+0:21]:1 15a677ab03a61aa825fd580e7685c81deca9b962e1982c643c3297b9baff2068 Br[CH2:16][C@H:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[CH:24]([CH3:25])[CH3:26].[CH3:1][CH:2]([CH3:3])[CH2:4][C@H:5]([NH:6][C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH:14]=[O:15]>BrCCBr.C1CCOC1.CCOCC.Cl.[Mg].N>[CH3:1][CH:2]([CH3:3])[CH2:4][C@H:5]([NH:6][C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[C@@H:14]([OH:15])[CH2:16][C@H:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[CH:24]([CH3:25])[CH3:26] KFIMHJPLUHYGGQ-NSHDSACASA-N.RQSBRFZHUKLKNO-VIFPVBQESA-N>>AMTYBUYKZCLTGT-UFYCRDLUSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@@H;D3;+0:4](-[C:3])-[OH;D1;+0:5]>>Br-[CH2;D2;+0:1]-[C:2].[C:3]-[CH;D2;+0:4]=[O;H0;D1;+0:5] 5bf9aa6f809cb28ee6e0828d48d701645c63f6658fc2f6c81805ab3e25984959 [CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH2:7][CH2:8][C:9](=[O:10])[c:11]2[cH:12][c:13]([O:14][Si:15]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[C:28]([CH3:29])([CH3:30])[CH3:31])[cH:32][cH:33][cH:34]2)[cH:35][cH:36][cH:37][cH:38]1>B.C1CCOC1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH2:7][CH2:8][C@@H:9]([OH:10])[c:11]2[cH:12][c:13]([O:14][Si:15]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[C:28]([CH3:29])([CH3:30])[CH3:31])[cH:32][cH:33][cH:34]2)[cH:35][cH:36][cH:37][cH:38]1 VEHZQIRUGMNQSY-UHFFFAOYSA-N>>VCKIUEDRXGBQEY-WJOKGBTCSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][C@@:2]12[CH:3]=[CH:4][CH2:5][C@H:6]1[C@@H:7]1[CH2:8][CH2:9][C@H:10]3[CH2:11][C:12](=[O:13])[CH2:14][CH2:15][C@:16]3([CH3:17])[C@H:18]1[CH2:19][CH2:20]2>C1CCCCC1.C1CCOC1.CCO.O.OO.[Na+].O>[CH3:1][C@@:2]12[CH:3]=[CH:4][CH2:5][C@H:6]1[C@@H:7]1[CH2:8][CH2:9][C@H:10]3[CH2:11][C@H:12]([OH:13])[CH2:14][CH2:15][C@:16]3([CH3:17])[C@H:18]1[CH2:19][CH2:20]2 HFVMLYAGWXSTQI-QYXZOKGRSA-N>>KRVXMNNRSSQZJP-PHFHYRSDSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C@@:2]12[CH:3]=[CH:4][CH2:5][C@H:6]1[C@@H:7]1[CH2:8][CH2:9][C:10]3=[CH:11][C:12](=[O:13])[CH2:14][CH2:15][C@:16]3([CH3:17])[C@H:18]1[CH2:19][CH2:20]2>C1CCOC1.CCOC(C)=O.ClCCl>[CH3:1][C@@:2]12[CH:3]=[CH:4][CH2:5][C@H:6]1[C@@H:7]1[CH2:8][CH2:9][C:10]3=[CH:11][C@H:12]([OH:13])[CH2:14][CH2:15][C@:16]3([CH3:17])[C@H:18]1[CH2:19][CH2:20]2 HNDHDMOSWUAEAW-VMXHOPILSA-N>>NYVFCEPOUVGTNP-UGCZWRCOSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[C:1]=[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 30b58d787d9916ad48be3323fde35e4d1c60b573ffde717577d2f36c035f619a [CH3:1][C@@H:2]([CH2:3][OH:4])[CH2:5][CH2:6][CH2:7][C@@H:8]([CH3:9])[C@H:10]1[C:11](=[O:12])[CH2:13][C@H:14]2[C@@H:15]3[CH2:16][CH:17]=[C:18]4[CH2:19][C@@H:20]([OH:21])[CH2:22][CH2:23][C@:24]4([CH3:25])[C@H:26]3[CH2:27][CH2:28][C@:29]12[CH3:30]>Cc1ccc(S(=O)(=O)Cl)cc1.O>[CH3:1][C@@H:2]([CH2:3][OH:4])[CH2:5][CH2:6][CH2:7][C@@H:8]([CH3:9])[C@H:10]1[C@@H:11]([OH:12])[CH2:13][C@H:14]2[C@@H:15]3[CH2:16][CH:17]=[C:18]4[CH2:19][C@@H:20]([OH:21])[CH2:22][CH2:23][C@:24]4([CH3:25])[C@H:26]3[CH2:27][CH2:28][C@:29]12[CH3:30] YEQXDBHOLDZYQY-SLOIPFCQSA-N>>NUHIVWGZNPMOCV-MZVWGMDXSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d O=[C:14]1[C@@:12]2([CH3:13])[CH2:11][CH2:10][C@@H:9]3[c:6]4[c:5]([cH:4][c:3]([O:2][CH3:1])[cH:8][cH:7]4)[CH2:27][CH2:26][C@H:25]3[C@@H:24]2[CH2:23][CH2:22]1.[NH2:15][CH2:16][CH2:17][CH2:18][N:19]([CH3:20])[CH3:21]>O=CO>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C@H:9]1[CH2:10][CH2:11][C@:12]3([CH3:13])[C@@H:14]([NH:15][CH2:16][CH2:17][CH2:18][N:19]([CH3:20])[CH3:21])[CH2:22][CH2:23][C@H:24]3[C@@H:25]1[CH2:26][CH2:27]2 BCWWDWHFBMPLFQ-VXNCWWDNSA-N.IUNMPGNGSSIWFP-UHFFFAOYSA-N>>LBZGWMHDGVALKJ-DJCPXJLLSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C:3])-[NH;D2;+0:5]-[C:4]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[C:4]-[NH2;D1;+0:5] a8e56c9c6336cfc3fc1d08acd8bbc81ff9882c9f18f2ba601555112e48f8efac [CH3:1][C@@:2]12[CH:3]=[CH:4][CH2:5][C@H:6]1[C@@H:7]1[CH2:8][CH2:9][C@H:10]3[CH2:11][C:12](=[O:13])[CH2:14][CH2:15][C@:16]3([CH3:17])[C@H:18]1[CH2:19][CH2:20]2>C1CCOC1.CO.B.[Na+]>[CH3:1][C@@:2]12[CH:3]=[CH:4][CH2:5][C@H:6]1[C@@H:7]1[CH2:8][CH2:9][C@H:10]3[CH2:11][C@@H:12]([OH:13])[CH2:14][CH2:15][C@:16]3([CH3:17])[C@H:18]1[CH2:19][CH2:20]2 HFVMLYAGWXSTQI-QYXZOKGRSA-N>>KRVXMNNRSSQZJP-LOVVWNRFSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d N[C@@H:5]([CH2:4][CH:2]([CH3:1])[CH3:3])[C:7](=[O:8])[OH:9].[OH2:6]>O=S(=O)(O)O.O=[N+]([O-])O.Cl.[Na+].[Na+]>[CH3:1][CH:2]([CH3:3])[CH2:4][C@H:5]([OH:6])[C:7](=[O:8])[OH:9] ROHFNLRQFUQHCH-YFKPBYRVSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>LVRFTAZAXQPQHI-YFKPBYRVSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[OH;D1;+0:6])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[OH2;D0;+0:6] 3b2930445911a30f6eef1993b611280cb26ac438bc2995944b0d46cd68ec10e9 [CH3:1]/[CH:2]=[CH:3]/[CH2:4][CH2:5][C:6](=[O:7])[CH2:8][C@H:9]([OH:10])[CH2:11][CH2:12][OH:13]>C1CCOC1.CCB(CC)CC.CO.O=C(O)O.B.[Na+].[Na+]>[CH3:1]/[CH:2]=[CH:3]/[CH2:4][CH2:5][C@H:6]([OH:7])[CH2:8][C@H:9]([OH:10])[CH2:11][CH2:12][OH:13] SHHVNLZCXWAKNG-VMZHVLLKSA-N>>NRWIMDSYLCLSTJ-MDCNRGEUSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 N[C@H:5]([CH2:4][CH:2]([CH3:1])[CH3:3])[C:7](=[O:8])[OH:9].O=S(=O)(O)[OH:6]>O.O=NO.[Na+]>[CH3:1][CH:2]([CH3:3])[CH2:4][C@@H:5]([OH:6])[C:7](=[O:8])[OH:9] QAOWNCQODCNURD-UHFFFAOYSA-N.ROHFNLRQFUQHCH-RXMQYKEDSA-N>>LVRFTAZAXQPQHI-RXMQYKEDSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[OH;D1;+0:6])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].O-S(=O)(=O)-[OH;D1;+0:6] 4920681a8525a5b034fc319a7c2107a54bde4d03b9ac25f9a0e33f748697a7a5 [CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH2:7][CH2:8][C:9](=[O:10])[c:11]2[cH:12][c:13]([O:14][Si:15]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[C:28]([CH3:29])([CH3:30])[CH3:31])[cH:32][cH:33][cH:34]2)[cH:35][cH:36][cH:37][cH:38]1>B.C1CCOC1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH2:7][CH2:8][C@@H:9]([OH:10])[c:11]2[cH:12][c:13]([O:14][Si:15]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[C:28]([CH3:29])([CH3:30])[CH3:31])[cH:32][cH:33][cH:34]2)[cH:35][cH:36][cH:37][cH:38]1 VEHZQIRUGMNQSY-UHFFFAOYSA-N>>VCKIUEDRXGBQEY-WJOKGBTCSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][CH2:2][O:3][CH2:4][C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[CH:20](=[O:21])[c:22]1[cH:23][c:24]2[c:25]([cH:26][cH:27]1)[o:28][c:29]([CH2:30][c:31]1[c:32]([CH3:33])[o:34][c:35](-[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[n:42]1)[cH:43]2>CCCC[B+]CCCC.CCN(CC)CC.ClCCl.O=S(=O)(O)C(F)(F)F>[CH3:1][CH2:2][O:3][C@H:4]([C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[C@H:20]([OH:21])[c:22]1[cH:23][c:24]2[c:25]([cH:26][cH:27]1)[o:28][c:29]([CH2:30][c:31]1[c:32]([CH3:33])[o:34][c:35](-[c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[n:42]1)[cH:43]2 IMOCMUWDPTYHTP-UHFFFAOYSA-N.UZCXCVNBSPOTNE-LBPRGKRZSA-N>>KLCQULIEQMMKSO-XGNZJKERSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2](=[O;D1;H0:3])-[C@@H;D3;+0:4](-[#8:5])-[C@H;D3;+0:7](-[OH;D1;+0:6])-[c:8]>>[#7:1]-[C:2](=[O;D1;H0:3])-[CH2;D2;+0:4]-[#8:5].[O;H0;D1;+0:6]=[CH;D2;+0:7]-[c:8] 58d4fe80ba1c7a48ee1ec1c2337629c791732ab635be2fd1317597cb9bb5c92c [CH3:1][CH2:2][CH2:3][CH2:4][C:5](=[O:6])[c:7]1[cH:8][cH:9][c:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[cH:15][cH:16]1>C1CCOC1.C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)C[C@H]2C[C@@H]1C2(C)C>[CH3:1][CH2:2][CH2:3][CH2:4][C@@H:5]([OH:6])[c:7]1[cH:8][cH:9][c:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[cH:15][cH:16]1 LYTGASAOAHKORG-UHFFFAOYSA-N>>LQGMXKXKTHJGAI-OAHLLOKOSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 CS(=O)(=O)O[C@@H:5]1[CH2:6][C@@H:7]([CH2:8][N:9]2[C:10](=[O:11])[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[C:18]2=[O:19])[N:20]([C:21](=[O:22])[O:23][CH2:24][c:25]2[cH:26][cH:27][c:28]([N+:29](=[O:30])[O-:31])[cH:32][cH:33]2)[CH2:34]1.[CH3:1][C:2]([OH:3])=[S:4]>CN(C)C=O.[K+]>[CH3:1][C:2](=[O:3])[S:4][C@H:5]1[CH2:6][C@@H:7]([CH2:8][N:9]2[C:10](=[O:11])[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[C:18]2=[O:19])[N:20]([C:21](=[O:22])[O:23][CH2:24][c:25]2[cH:26][cH:27][c:28]([N+:29](=[O:30])[O-:31])[cH:32][cH:33]2)[CH2:34]1 DUYAAUVXQSMXQP-UHFFFAOYSA-N.NLSTUVXXKJLWCY-DLBZAZTESA-N>>XPEAENGAMZYEAR-ROUUACIJSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:8]-[C;H0;D3;+0:6](-[C;D1;H3:5])=[O;H0;D1;+0:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C;D1;H3:5]-[C;H0;D3;+0:6](-[OH;D1;+0:7])=[S;H0;D1;+0:8] 8096436b5e08800d1c7283ac35d0fd055841f606ca5d135aed3a4c3dc775190f CS(=O)(=O)O[C@@H:5]1[CH2:6][C@@H:7]([CH2:8][N:9]2[C:10](=[O:11])[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[C:18]2=[O:19])[N:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:28]1.[CH3:1][C:2]([OH:3])=[S:4]>CCOC(C)=O.CN(C)C=O.Cl.[K+]>[CH3:1][C:2](=[O:3])[S:4][C@H:5]1[CH2:6][C@@H:7]([CH2:8][N:9]2[C:10](=[O:11])[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[C:18]2=[O:19])[N:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:28]1 DUYAAUVXQSMXQP-UHFFFAOYSA-N.IMZONKNIPRWXPR-QWHCGFSZSA-N>>XVRUMXJRXOEPSJ-KBPBESRZSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:8]-[C;H0;D3;+0:6](-[C;D1;H3:5])=[O;H0;D1;+0:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C;D1;H3:5]-[C;H0;D3;+0:6](-[OH;D1;+0:7])=[S;H0;D1;+0:8] 8096436b5e08800d1c7283ac35d0fd055841f606ca5d135aed3a4c3dc775190f CS(=O)(=O)O[C@@H:5]1[CH2:6][C@H:7]([CH2:8][OH:9])[N:10]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:18]1.[CH3:1][C:2]([OH:3])=[S:4]>CCOC(C)=O.CN(C)C=O.[K+]>[CH3:1][C:2](=[O:3])[S:4][C@H:5]1[CH2:6][C@H:7]([CH2:8][OH:9])[N:10]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:18]1 DUYAAUVXQSMXQP-UHFFFAOYSA-N.GBUOWVDRNWNHOE-RKDXNWHRSA-N>>CZIBLNJSWPMUGC-ZJUUUORDSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:8]-[C;H0;D3;+0:6](-[C;D1;H3:5])=[O;H0;D1;+0:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C;D1;H3:5]-[C;H0;D3;+0:6](-[OH;D1;+0:7])=[S;H0;D1;+0:8] 8096436b5e08800d1c7283ac35d0fd055841f606ca5d135aed3a4c3dc775190f O[C@@H:5]([CH2:6][CH2:7][Cl:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1.[CH3:1][c:2]1[c:3]([OH:4])[cH:15][cH:16][c:17]([I:18])[cH:19]1>C1CCOC1.CCOC(=O)N=NC(=O)O.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][c:2]1[c:3]([O:4][C@H:5]([CH2:6][CH2:7][Cl:8])[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][c:17]([I:18])[cH:19]1 JZFUHAGLMZWKTF-VIFPVBQESA-N.WSBDSSKIWDFOBQ-UHFFFAOYSA-N>>BJGHHFOFZSUCFN-MRXNPFEDSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de O[C@H:5]([CH2:6][CH2:7][Cl:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1.[CH3:1][c:2]1[c:3]([OH:4])[cH:15][cH:16][c:17]([I:18])[cH:19]1>C1CCOC1.CCOC(=O)N=NC(=O)O.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][c:2]1[c:3]([O:4][C@@H:5]([CH2:6][CH2:7][Cl:8])[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][c:17]([I:18])[cH:19]1 JZFUHAGLMZWKTF-SECBINFHSA-N.WSBDSSKIWDFOBQ-UHFFFAOYSA-N>>BJGHHFOFZSUCFN-INIZCTEOSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] b51aa84223ac8987c903416d7d295e7a36e10e901104df238d8ffd71135ac882 [CH3:1][CH2:2][CH2:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9]([CH2:10][CH:11]([CH3:12])[CH3:13])[cH:14][cH:15]1>C1CCOC1.C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)C[C@H]2C[C@@H]1C2(C)C>[CH3:1][CH2:2][CH2:3][C@@H:4]([OH:5])[c:6]1[cH:7][cH:8][c:9]([CH2:10][CH:11]([CH3:12])[CH3:13])[cH:14][cH:15]1 KDEULVTVIMZDPX-UHFFFAOYSA-N>>ADIWYEUMOCNZRS-CQSZACIVSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [OH:1][c:2]1[c:3]2[c:15]3[c:14]([cH:24][cH:25]1)[CH2:13][C@@H:12]1[C@:10]4([OH:11])[CH2:9][CH2:8][C:6](=[O:7])[C@H:5]([O:4]2)[C@@:16]43[CH2:17][CH2:18][N:19]1[CH2:20][CH:21]1[CH2:22][CH2:23]1>CCOC(C)=O.N=C(N)S(=O)O.O.Cl.N.[Na+].O>[OH:1][c:2]1[c:3]2[c:15]3[c:14]([cH:24][cH:25]1)[CH2:13][C@@H:12]1[C@:10]4([OH:11])[CH2:9][CH2:8][C@@H:6]([OH:7])[C@H:5]([O:4]2)[C@@:16]43[CH2:17][CH2:18][N:19]1[CH2:20][CH:21]1[CH2:22][CH2:23]1 DQCKKXVULJGBQN-XFWGSAIBSA-N>>JLVNEHKORQFVQJ-PYIJOLGTSA-N 0.0 Unrecognized False substrate controlled False [#8:1]-[C:2]-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#8:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 1916be9ef8bda8c20f0bed2e6fd545bbb800c548e04828ab535e0fdf6488907c [CH3:1][CH2:2][CH2:3][CH2:4][C:5](=[O:6])[c:7]1[cH:8][cH:9][c:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[cH:15][cH:16]1>C1CCOC1.C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)C[C@H]2C[C@@H]1C2(C)C>[CH3:1][CH2:2][CH2:3][CH2:4][C@@H:5]([OH:6])[c:7]1[cH:8][cH:9][c:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[cH:15][cH:16]1 LYTGASAOAHKORG-UHFFFAOYSA-N>>LQGMXKXKTHJGAI-OAHLLOKOSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][CH2:2][CH2:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9]([CH2:10][CH:11]([CH3:12])[CH3:13])[cH:14][cH:15]1>C1CCOC1.C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)C[C@H]2C[C@@H]1C2(C)C>[CH3:1][CH2:2][CH2:3][C@@H:4]([OH:5])[c:6]1[cH:7][cH:8][c:9]([CH2:10][CH:11]([CH3:12])[CH3:13])[cH:14][cH:15]1 KDEULVTVIMZDPX-UHFFFAOYSA-N>>ADIWYEUMOCNZRS-CQSZACIVSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C:10](=[O:11])[c:12]1[cH:13][cH:14][c:15]([F:16])[cH:17][cH:18]1>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CO>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C@H:10]([OH:11])[c:12]1[cH:13][cH:14][c:15]([F:16])[cH:17][cH:18]1 OTMJFLQPXWXUCF-UHFFFAOYSA-N>>XQCICSMAHRCOEC-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][C:2](=[O:3])[O:4][CH:5]1[CH2:6][CH2:7][C@@:8]2([CH3:9])[C:10](=[CH:11][CH2:12][C@H:13]3[C@@H:14]4[CH2:15][CH2:16][C:17](=[O:18])[C@@:19]4([CH3:20])[CH2:21][CH2:22][C@H:23]23)[CH2:24]1>CCO.O.B.[Na+]>[CH3:1][C:2](=[O:3])[O:4][CH:5]1[CH2:6][CH2:7][C@@:8]2([CH3:9])[C:10](=[CH:11][CH2:12][C@H:13]3[C@@H:14]4[CH2:15][CH2:16][C@H:17]([OH:18])[C@@:19]4([CH3:20])[CH2:21][CH2:22][C@H:23]23)[CH2:24]1 NCMZQTLCXHGLOK-QCDWPJGMSA-N>>OQHMNEGOKQMOFM-HXZOEFROSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 CC(=O)O[C@@H:8]1[O:7][C@H:6]([CH2:5][O:4][C:2]([CH3:1])=[O:3])[C@@H:26]([O:27][C:28]([CH3:29])=[O:30])[C@H:21]1[O:22][C:23]([CH3:24])=[O:25].[nH:9]1[c:10]([Br:11])[n:12][c:13]2[c:14]1[cH:15][c:16]([Cl:17])[c:18]([Cl:19])[cH:20]2>CC#N.CCOC(C)=O.C[Si](C)(C)OS(=O)(=O)C(F)(F)F.O=C1N=c2cc(Cl)c(Cl)cc2=N1>[CH3:1][C:2](=[O:3])[O:4][CH2:5][C@H:6]1[O:7][C@@H:8]([n:9]2[c:10]([Br:11])[n:12][c:13]3[c:14]2[cH:15][c:16]([Cl:17])[c:18]([Cl:19])[cH:20]3)[C@H:21]([O:22][C:23]([CH3:24])=[O:25])[C@@H:26]1[O:27][C:28]([CH3:29])=[O:30] IHNHAHWGVLXCCI-FDYHWXHSSA-N.KEZMBKQTCPNSOF-UHFFFAOYSA-N>>YOHBOWGRGQAKAT-QBPKDAKJSA-N 0.0 Unrecognized False stereospecific False [C:6]-[#8:5]-[C:4]-[C:3]1-[#8:2]-[C@@H;D3;+0:1](-[n;H0;D3;+0:19]2:[c:18]:[#7;a:17]:[c:21]:[c:20]:2)-[C:12](-[#8:13]-[C:14](-[C;D1;H3:15])=[O;D1;H0:16])-[C:7]-1-[#8:8]-[C:9](-[C;D1;H3:10])=[O;D1;H0:11]>>C-C(=O)-O-[C@@H;D3;+0:1]1-[#8:2]-[C:3](-[C:4]-[#8:5]-[C:6])-[C:7](-[#8:8]-[C:9](-[C;D1;H3:10])=[O;D1;H0:11])-[C:12]-1-[#8:13]-[C:14](-[C;D1;H3:15])=[O;D1;H0:16].[#7;a:17]1:[c:18]:[nH;D2;+0:19]:[c:20]:[c:21]:1 15a677ab03a61aa825fd580e7685c81deca9b962e1982c643c3297b9baff2068 CC(=O)O[C@@H:8]1[O:7][C@H:6]([CH2:5][O:4][C:2]([CH3:1])=[O:3])[C@@H:26]([O:27][C:28]([CH3:29])=[O:30])[C@H:21]1[O:22][C:23]([CH3:24])=[O:25].[nH:9]1[c:10]([NH2:11])[n:12][c:13]2[c:14]1[cH:15][c:16]([Cl:17])[c:18]([Cl:19])[cH:20]2>CC#N.C[Si](C)(C)S(=O)(=O)C(F)(F)F>[CH3:1][C:2](=[O:3])[O:4][CH2:5][C@H:6]1[O:7][C@@H:8]([n:9]2[c:10]([NH2:11])[n:12][c:13]3[c:14]2[cH:15][c:16]([Cl:17])[c:18]([Cl:19])[cH:20]3)[C@H:21]([O:22][C:23]([CH3:24])=[O:25])[C@@H:26]1[O:27][C:28]([CH3:29])=[O:30] HAADRTMPUSJNOI-UHFFFAOYSA-N.IHNHAHWGVLXCCI-FDYHWXHSSA-N>>ILWNIIOKUUFIMY-QBPKDAKJSA-N 0.0 Unrecognized False stereospecific False [C:6]-[#8:5]-[C:4]-[C:3]1-[#8:2]-[C@@H;D3;+0:1](-[n;H0;D3;+0:19]2:[c:18]:[#7;a:17]:[c:21]:[c:20]:2)-[C:12](-[#8:13]-[C:14](-[C;D1;H3:15])=[O;D1;H0:16])-[C:7]-1-[#8:8]-[C:9](-[C;D1;H3:10])=[O;D1;H0:11]>>C-C(=O)-O-[C@@H;D3;+0:1]1-[#8:2]-[C:3](-[C:4]-[#8:5]-[C:6])-[C:7](-[#8:8]-[C:9](-[C;D1;H3:10])=[O;D1;H0:11])-[C:12]-1-[#8:13]-[C:14](-[C;D1;H3:15])=[O;D1;H0:16].[#7;a:17]1:[c:18]:[nH;D2;+0:19]:[c:20]:[c:21]:1 15a677ab03a61aa825fd580e7685c81deca9b962e1982c643c3297b9baff2068 [CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[cH:7][c:8]([C:9](=[O:10])[CH2:11][NH2:12])[c:13]([F:14])[cH:15][cH:16]1>CCN(CC)CC.CNC(=O)N1C[C@H](P(C2CCCCC2)C2CCCCC2)C[C@@H]1CP(c1ccccc1)c1ccccc1.CO.Cl.[H][H]>[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[cH:7][c:8]([C@@H:9]([OH:10])[CH2:11][NH2:12])[c:13]([F:14])[cH:15][cH:16]1 UQTCFBJCOKMRSJ-UHFFFAOYSA-N>>XYLJNMCMDOOJRW-VIFPVBQESA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [C:20]([CH3:21])([CH3:22])=[O:23].[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][CH:11]1[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1)[C@@H:17]1[CH2:18][CH2:19][C:24](=[O:25])[O:26]1>C1CCOC1.CC(C)NC(C)C.CCCCCC.Cl.[Li]CCCC.N>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][CH:11]1[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1)[C@@H:17]1[CH2:18][C@@H:19]([C:20]([CH3:21])([CH3:22])[OH:23])[C:24](=[O:25])[O:26]1 CSCPPACGZOOCGX-UHFFFAOYSA-N.UXCILZJYSIVHNB-KBPBESRZSA-N>>ONTNQSPOVPJIPN-PMPSAXMXSA-N 0.0 Unrecognized False substrate controlled False [C:5]-[C:6]1-[#8:7]-[C:8](=[O;D1;H0:9])-[C@H;D3;+0:10](-[C;H0;D4;+0:2](-[C;D1;H3:1])(-[C;D1;H3:3])-[OH;D1;+0:4])-[C:11]-1>>[C;D1;H3:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4].[C:5]-[C:6]1-[#8:7]-[C:8](=[O;D1;H0:9])-[CH2;D2;+0:10]-[C:11]-1 66d2c68080f3549720e99f5460ce2b6af5866a62486b29f2a8b60972b6d7c96f Br[CH2:3][CH:2]=[CH2:1].[CH2:4]([CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[C:12](=[O:13])[N:14]1[C:15](=[O:16])[O:17][CH2:18][C@@H:19]1[CH:20]([CH3:21])[CH3:22]>C1CCOC1.CC(C)NC(C)C.CCCCCC.Cl.[Li]CCCC.N>[CH2:1]=[CH:2][CH2:3][C@@H:4]([CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[C:12](=[O:13])[N:14]1[C:15](=[O:16])[O:17][CH2:18][C@@H:19]1[CH:20]([CH3:21])[CH3:22] BHELZAPQIKSEDF-UHFFFAOYSA-N.FXFNSZINJMOGDV-CYBMUJFWSA-N>>BAJGQYPEGLSJDK-JKSUJKDBSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3]>>Br-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3].[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 42181a6356d577596039c200ae5f750211582bc9cf6ade255d2ea9d2dd6ad309 [CH2:7]1[CH2:8][C@@H:9]([C@H:10]([CH2:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]2)[NH:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[O:26][C:27]1=[O:28].[CH3:1][CH2:2][C:3](=[O:4])[CH2:5][CH3:6]>C1CCOC1.CC(C)NC(C)C.CCCCCC.Cl.[Li]CCCC.N>[CH3:1][CH2:2][C:3]([OH:4])([CH2:5][CH3:6])[C@@H:7]1[CH2:8][C@@H:9]([C@H:10]([CH2:11][CH:12]2[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]2)[NH:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[O:26][C:27]1=[O:28] FDPIMTJIUBPUKL-UHFFFAOYSA-N.UXCILZJYSIVHNB-KBPBESRZSA-N>>GTIWTVOYGAQIHS-SQNIBIBYSA-N 0.0 Unrecognized False substrate controlled False [C:5]-[C:6]1-[#8:7]-[C:8](=[O;D1;H0:9])-[C@H;D3;+0:10](-[C;H0;D4;+0:2](-[C:1])(-[C:3])-[OH;D1;+0:4])-[C:11]-1>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4].[C:5]-[C:6]1-[#8:7]-[C:8](=[O;D1;H0:9])-[CH2;D2;+0:10]-[C:11]-1 66d2c68080f3549720e99f5460ce2b6af5866a62486b29f2a8b60972b6d7c96f [C:20]1(=[O:21])[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]1.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][CH:11]1[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1)[C@@H:17]1[CH2:18][CH2:19][C:27](=[O:28])[O:29]1>C1CCOC1.CC(C)NC(C)C.CCCCCC.Cl.[Li]CCCC.N>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][CH:11]1[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1)[C@@H:17]1[CH2:18][C@@H:19]([C:20]2([OH:21])[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[C:27](=[O:28])[O:29]1 JHIVVAPYMSGYDF-UHFFFAOYSA-N.UXCILZJYSIVHNB-KBPBESRZSA-N>>INYKALHSAMPFSI-QYZOEREBSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C;H0;D4;+0:2](-[C:3])(-[OH;D1;+0:4])-[C@@H;D3;+0:10]1-[C:11]-[C:6](-[C:5])-[#8:7]-[C:8]-1=[O;D1;H0:9]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4].[C:5]-[C:6]1-[#8:7]-[C:8](=[O;D1;H0:9])-[CH2;D2;+0:10]-[C:11]-1 66d2c68080f3549720e99f5460ce2b6af5866a62486b29f2a8b60972b6d7c96f I[CH3:1].[CH2:2]1[CH2:3][C@@H:4]([C@H:5]([CH2:6][CH:7]2[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]2)[NH:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[O:21][C:22]1=[O:23]>C1CCOC1.CC(C)NC(C)C.CCCCCC.Cl.[Li]CCCC.N>[CH3:1][C@@H:2]1[CH2:3][C@@H:4]([C@H:5]([CH2:6][CH:7]2[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]2)[NH:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[O:21][C:22]1=[O:23] INQOMBQAUSQDDS-UHFFFAOYSA-N.UXCILZJYSIVHNB-KBPBESRZSA-N>>AVOJMAQDELWKHE-SNPRPXQTSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C:3]1-[#8:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[CH3;D1;+0:1])-[C:8]-1>>I-[CH3;D1;+0:1].[C:2]-[C:3]1-[#8:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8]-1 a0232773ed6af598139386f4740639e73ee21eeadb57f264c3fcd32fc667b9f6 [CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C:10](=[O:11])[c:12]1[cH:13][cH:14][c:15]([F:16])[cH:17][cH:18]1>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CO>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C@H:10]([OH:11])[c:12]1[cH:13][cH:14][c:15]([F:16])[cH:17][cH:18]1 OTMJFLQPXWXUCF-UHFFFAOYSA-N>>XQCICSMAHRCOEC-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[cH:7][c:8]([C:9](=[O:10])[CH2:11][NH2:12])[c:13]([F:14])[cH:15][cH:16]1>CCN(CC)CC.CNC(=O)N1C[C@H](P(C2CCCCC2)C2CCCCC2)C[C@@H]1CP(c1ccccc1)c1ccccc1.CO.Cl.[H][H]>[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[cH:7][c:8]([C@@H:9]([OH:10])[CH2:11][NH2:12])[c:13]([F:14])[cH:15][cH:16]1 UQTCFBJCOKMRSJ-UHFFFAOYSA-N>>XYLJNMCMDOOJRW-VIFPVBQESA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][O:2][CH2:3][CH2:4][CH2:5][CH2:6][N:7]1[CH2:8][C:9](=[O:10])[c:11]2[c:12]([s:13][c:14]([S:15](=[O:16])(=[O:17])[NH:18][C:19]([CH3:20])([CH3:21])[CH3:22])[cH:23]2)[S:24]1(=[O:25])=[O:26]>C1CCOC1.CCOC(C)=O.C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C.OCCNCCO>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][CH2:6][N:7]1[CH2:8][C@@H:9]([OH:10])[c:11]2[c:12]([s:13][c:14]([S:15](=[O:16])(=[O:17])[NH:18][C:19]([CH3:20])([CH3:21])[CH3:22])[cH:23]2)[S:24]1(=[O:25])=[O:26] SAUZZLLPNFRTLJ-UHFFFAOYSA-N>>BBQGKEFRUKZDBK-GFCCVEGCSA-N 0.0 Unrecognized False reagent controlled True [#16;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[OH;D1;+0:5])-[C:6]-[#7:7]>>[#16;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6]-[#7:7] ad88ac0526a87829aa2da9f1091499a65dcf4ce81448ef85dcbc3949385754e0 N[C@H:5]([CH2:4][CH:2]([CH3:1])[CH3:3])[C:7](=[O:8])[OH:9].[OH2:6]>O=NO.O=S(=O)(O)O.[Na+]>[CH3:1][CH:2]([CH3:3])[CH2:4][C@@H:5]([OH:6])[C:7](=[O:8])[OH:9] ROHFNLRQFUQHCH-RXMQYKEDSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>LVRFTAZAXQPQHI-RXMQYKEDSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[OH;D1;+0:6])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[OH2;D0;+0:6] 597e60c00d458940162d7a3f76139b2de64f6543c2b538d3961221d7df07e2ca [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1>CC(C)O.CCCCCC.CCOCC.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=P(O)(O)O.[Na+].O>[CH3:1][O:2][C:3](=[O:4])[C@H:5]([OH:6])[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1 YLHXLHGIAMFFBU-UHFFFAOYSA-N>>ITATYELQCJRCCK-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] 074ef2903a7fab68b183f3b3af90b5fb0f95b908920f7c9d7db8dce536ce27b5 Br[Mg][CH3:1].[CH:2]1=[CH:3][C:4]2=[CH:5][C:6](=[O:7])[CH2:8][CH2:9][C@:10]2([CH3:11])[C@H:12]2[CH2:13][CH2:14][C@:15]3([CH3:16])[C:17](=[O:18])[CH2:19][CH2:20][C@H:21]3[C@H:22]12>>[CH3:1][C@@H:2]1[CH2:3][C:4]2=[CH:5][C:6](=[O:7])[CH2:8][CH2:9][C@:10]2([CH3:11])[C@H:12]2[CH2:13][CH2:14][C@:15]3([CH3:16])[C:17](=[O:18])[CH2:19][CH2:20][C@H:21]3[C@H:22]12 AVFUHBJCUUTGCD-UHFFFAOYSA-M.YEWSFUFGMDJFFG-QAGGRKNESA-N>>PJHCQGDFXVFQMG-KKBAUVHGSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3](-[CH3;D1;+0:1])-[CH2;D2;+0:4]-[C:5]=[C:6]>>Br-[Mg]-[CH3;D1;+0:1].[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5]=[C:6] 5c1646ad975ac4c160a5576fa1689c08e8d0aaed70b41d75532597563f0f94fd [CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([C@@H:7]([OH:8])[CH:9]=[C:10]4[CH2:11][C@@H:12]([OH:13])[CH2:14][CH2:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[OH:22]>[Pd]>[CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([C@@H:7]([OH:8])[CH2:9][C@H:10]4[CH2:11][C@@H:12]([OH:13])[CH2:14][CH2:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@@H:21]2[OH:22] OEVZKEVBDIDVOI-YSZCXEEOSA-N>>UFGLFVVFQFFPSV-ZWPGJAPDSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[CH2;D2;+0:4]-[C:5]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[CH;D2;+0:4]-[C:5] 05675f9eecea9fed6ca08fc4581511e42ec4fea0ca77351e260a499df9546024 O=[C:6]([C:4]([O:3][CH2:2][CH3:1])=[O:5])[CH2:7][CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1.[NH2:15][C@@H:16]([CH3:17])[C:18](=[O:19])[N:20]1[CH2:21][CH2:22][CH2:23][C@H:24]1[C:25](=[O:26])[OH:27]>CCN(CC)CC.CCO.Cl.[Ni]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]([CH2:7][CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[NH:15][C@@H:16]([CH3:17])[C:18](=[O:19])[N:20]1[CH2:21][CH2:22][CH2:23][C@H:24]1[C:25](=[O:26])[OH:27] STPXIOGYOLJXMZ-UHFFFAOYSA-N.WPWUFUBLGADILS-WDSKDSINSA-N>>GBXSMTUPTTWBMN-XIRDDKMYSA-N 0.0 Unrecognized False substrate controlled False [#7:8]-[C:9](=[O;D1;H0:10])-[C:11]-[NH;D2;+0:12]-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7].[#7:8]-[C:9](=[O;D1;H0:10])-[C:11]-[NH2;D1;+0:12] 2f3e8161e49878ad0bf600cd18a51d73a02621fcb4211b0b55822089f94a0f32 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]([OH:18])[C:19](=[O:20])[CH:21]1[CH2:22][CH2:23]1>CC(=O)O.ClCCl.B.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]([OH:18])[C@@H:19]([OH:20])[CH:21]1[CH2:22][CH2:23]1 AMQKXVLNVDXGIP-GOEBONIOSA-N>>KJVXLQDHZDZFPM-HRCADAONSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [C:3]1(=[O:4])[C@H:5]([OH:6])[C@@H:9]([OH:10])[C@H:7]([OH:8])[C@@H:11]([CH2:13][OH:14])[O:12]1.[CH3:1][NH2:2]>CC(C)O.CO>[CH3:1][NH:2][C:3](=[O:4])[C@H:5]([OH:6])[C@@H:7]([OH:8])[C@H:9]([OH:10])[C@H:11]([OH:12])[CH2:13][OH:14] BAVYZALUXZFZLV-UHFFFAOYSA-N.PHOQVHQSTUBQQK-SQOUGZDYSA-N>>FLLFKFMTRYRALL-ARQDHWQXSA-N 0.0 Unrecognized False stereospecific False [C:3]-[C@@H;D3;+0:4](-[OH;D1;+0:5])-[C@@H;D3;+0:10](-[O;D1;H1:11])-[C@H;D3;+0:12](-[O;D1;H1:13])-[C@@H;D3;+0:8](-[O;D1;H1:9])-[C;H0;D3;+0:6](=[O;D1;H0:7])-[NH;D2;+0:2]-[C;D1;H3:1]>>[C;D1;H3:1]-[NH2;D1;+0:2].[C:3]-[C@H;D3;+0:4]1-[O;H0;D2;+0:5]-[C;H0;D3;+0:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[O;D1;H1:9])-[C@@H;D3;+0:10](-[O;D1;H1:11])-[C@@H;D3;+0:12]-1-[O;D1;H1:13] bcf1598633efc6c28029d5a538569ff5611ddcf33f817e86bc5f8665542918ce [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1>CC(C)O.CCCCCC.CCOCC.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=P(O)(O)O.[Na+].O>[CH3:1][O:2][C:3](=[O:4])[C@H:5]([OH:6])[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1 YLHXLHGIAMFFBU-UHFFFAOYSA-N>>ITATYELQCJRCCK-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] 337cde4923ea3e390bc22368ecb7dcba62ee9a2cc54b39783dfdf823ddc6fd21 Br[CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C:9](=[O:10])[CH2:11][CH2:19][C@H:20]1[CH2:21][O:22][Si:23]([CH3:24])([CH3:25])[C:26]([CH3:27])([CH3:28])[CH3:29]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C:9](=[O:10])[C@H:11]([CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[CH2:19][C@H:20]1[CH2:21][O:22][Si:23]([CH3:24])([CH3:25])[C:26]([CH3:27])([CH3:28])[CH3:29] AGEZXYOZHKGVCM-UHFFFAOYSA-N.BIVAQLMYVMOBJZ-LBPRGKRZSA-N>>CYVRBWXVOVIQPC-MOPGFXCFSA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[C:7])-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]-[C:4](=[O;D1;H0:5])-[CH2;D2;+0:6]-[C:7] f5b34d4e85989cf9c6bd7da35887728ff2172ffe1e9da70d2e850fb1076c7320 [CH3:1][O:2][c:3]1[c:4]2[c:19]3[c:18]([cH:20][cH:21]1)[CH2:17][N:15]([CH3:16])[CH2:14][CH2:13][C@:12]31[C@H:6]([O:5]2)[CH2:7][C:8](=[O:9])[CH:10]=[CH:11]1>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.CO.ClC(Cl)Cl.[Li+]>[CH3:1][O:2][c:3]1[c:4]2[c:19]3[c:18]([cH:20][cH:21]1)[CH2:17][N:15]([CH3:16])[CH2:14][CH2:13][C@:12]31[C@H:6]([O:5]2)[CH2:7][C@H:8]([OH:9])[CH:10]=[CH:11]1 QENVUHCAYXAROT-RHSMWYFYSA-N>>ASUTZQLVASHGKV-SUYBPPKGSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[C:1]=[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 3d438d587d87521e60f8311dfb4f60605630598ea592a8172db481577c2b213e [CH3:1][O:2][c:3]1[c:4]2[c:19]3[c:18]([cH:20][cH:21]1)[CH2:17][N:15]([CH3:16])[CH2:14][CH2:13][C@@:12]31[C@@H:6]([O:5]2)[CH2:7][C:8](=[O:9])[CH:10]=[CH:11]1>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.CO.ClC(Cl)Cl.[Li+]>[CH3:1][O:2][c:3]1[c:4]2[c:19]3[c:18]([cH:20][cH:21]1)[CH2:17][N:15]([CH3:16])[CH2:14][CH2:13][C@@:12]31[C@@H:6]([O:5]2)[CH2:7][C@@H:8]([OH:9])[CH:10]=[CH:11]1 QENVUHCAYXAROT-YOEHRIQHSA-N>>ASUTZQLVASHGKV-JDFRZJQESA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[C:1]=[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 30b58d787d9916ad48be3323fde35e4d1c60b573ffde717577d2f36c035f619a [CH3:1][C@:2]12[CH2:3][CH2:4][C:5](=[O:6])[CH2:7][C@H:8]1[CH2:9][CH2:10][C@@H:11]1[C@@H:12]2[CH2:13][CH2:14][C@:15]2([CH3:16])[C@@H:17]([c:18]3[cH:19][o:20][cH:21][cH:22]3)[CH2:23][C@H:24]3[O:25][C@@:26]123>C1CCOC1.CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C.O.O=C(O)C1CCCO1.[HH]>[CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]([OH:6])[CH2:7][C@H:8]1[CH2:9][CH2:10][C@@H:11]1[C@@H:12]2[CH2:13][CH2:14][C@:15]2([CH3:16])[C@@H:17]([c:18]3[cH:19][o:20][cH:21][cH:22]3)[CH2:23][C@H:24]3[O:25][C@@:26]123 AHEBNQKFNOJSFM-KVMBTJSZSA-N>>YVJMDAOGBKPAMU-CEHWFFPPSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [O:1]=[C:2]([CH2:3][CH2:4][c:5]1[c:6]([Cl:7])[cH:8][cH:9][cH:10][cH:11]1)[c:12]1[cH:13][c:14]([CH:15]=[CH:16][c:17]2[n:18][c:19]3[cH:20][c:21]([F:22])[c:23]([F:24])[cH:25][c:26]3[cH:27][cH:28]2)[cH:29][cH:30][cH:31]1>C[C@H]1[C@H](B(Cl)[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C.ClCCl.OCCNCCO>[OH:1][C@@H:2]([CH2:3][CH2:4][c:5]1[c:6]([Cl:7])[cH:8][cH:9][cH:10][cH:11]1)[c:12]1[cH:13][c:14]([CH:15]=[CH:16][c:17]2[n:18][c:19]3[cH:20][c:21]([F:22])[c:23]([F:24])[cH:25][c:26]3[cH:27][cH:28]2)[cH:29][cH:30][cH:31]1 CLWJLLBSBNGMOI-UHFFFAOYSA-N>>WYVAPFNJVNBZST-SANMLTNESA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [O:1]=[C:2]([NH:3][C@@H:4]([CH2:5][c:6]1[cH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[cH:14][cH:15]1)[C:16](=[O:17])[CH2:18][Cl:19])[O:20][CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1>C1CCOC1.B.[Na+]>[O:1]=[C:2]([NH:3][C@@H:4]([CH2:5][c:6]1[cH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[cH:14][cH:15]1)[C@H:16]([OH:17])[CH2:18][Cl:19])[O:20][CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1 BMGGQIBPEMUTCE-FQEVSTJZSA-N>>LQLLFVDWQWTVHE-LEWJYISDSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 C[S+](C)(=O)[CH3:19].[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]/[C@@H:10]1[O:11][CH2:12][C@H:13]([CH3:14])[C@H:15]([O:16][CH3:17])[C:18]1=[O:20]>C1CCOC1.CNS(=O)(=O)NC.[HH].I.[Na+]>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]/[C@@H:10]1[O:11][CH2:12][C@H:13]([CH3:14])[C@H:15]([O:16][CH3:17])[C@@:18]12[CH2:19][O:20]2 VQIGFZXAGNHARD-UQAAISBRSA-N.YRYSAWZMIRQUBO-UHFFFAOYSA-N>>IORQSAAHJVVMSQ-PPSZHAAMSA-N 0.0 Unrecognized True substrate controlled False [C@@;H0;D4;+0:2]1-[CH2;D2;+0:1]-[O;H0;D2;+0:3]-1>>C-[S+](-C)(=O)-[CH3;D1;+0:1].[C;H0;D3;+0:2]=[O;H0;D1;+0:3] 51db9ad6707da4b8978e9261b081e37659c621a6e1b173ca5e687d3eb4e41f2c [CH2:1]=[C:2]([CH3:3])[C@@H:4]1[CH2:5][CH2:6][C:7]([CH3:8])([CH3:9])[C:10](=[O:11])[C@H:12]1[C:13](=[O:14])[O:15][CH3:16]>CCOC(C)=O.CO.O.O.O.O.O.O.O.B.[Ce+2].Cl.Cl.[Na+]>[CH2:1]=[C:2]([CH3:3])[C@@H:4]1[CH2:5][CH2:6][C:7]([CH3:8])([CH3:9])[C@H:10]([OH:11])[C@H:12]1[C:13](=[O:14])[O:15][CH3:16] DMKFUQYGRFMQJI-UWVGGRQHSA-N>>FPHHMFJTQVEBRI-GARJFASQSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8] 923f08f73bcf231a4469a783b476454dfc996b66619f88800e0679ca088598ce I[CH3:6].[CH3:1][O:2][c:3]1[c:4]([CH2:5][C:7](=[O:8])[N:9]2[C:10](=[O:11])[O:12][C@@H:13]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[C@@H:20]2[CH3:21])[cH:22][cH:23][cH:24][cH:25]1>C1CCOC1.CCOC(C)=O>[CH3:1][O:2][c:3]1[c:4]([C@H:5]([CH3:6])[C:7](=[O:8])[N:9]2[C:10](=[O:11])[O:12][C@@H:13]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[C@@H:20]2[CH3:21])[cH:22][cH:23][cH:24][cH:25]1 AWWGCTHFNOCGCA-SCLBCKFNSA-N.INQOMBQAUSQDDS-UHFFFAOYSA-N>>SKIJTVOHVVYJJU-SUNYJGFJSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[CH3;D1;+0:1])-[c:6]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[c:6] 392eb33aa7db2786e7965885f1d27e0768cd68e2a2f31bb6600bca5f4293b06f [O:1]=[C:2]1[CH2:3][CH2:4][C:5]([c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[C@@H:18]2[CH2:19][N:20]([CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[CH2:28][C@H:29]12>C1CCOC1.CCOC(C)=O.O.B.[Li]>[OH:1][C@@H:2]1[CH2:3][CH2:4][C:5]([c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[C@@H:18]2[CH2:19][N:20]([CH2:21][c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[CH2:28][C@H:29]12 YDTCAOIRGWQXAI-LOSJGSFVSA-N>>ZKKAHJRJJKSTMD-JIMJEQGWSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C@@H:10]2[C:11](=[O:12])[CH2:13][CH2:14][C:15]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[C@@H:28]2[CH2:29]1>CO.Cl.B.[Na+].[Na+].O>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C@@H:10]2[C@@H:11]([OH:12])[CH2:13][CH2:14][C:15]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[C@@H:28]2[CH2:29]1 GRZXYQUMNHMMSP-LEWJYISDSA-N>>OSSQKFDUHYONET-BDTNDASRSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [O:1]=[C:2]([CH2:3][CH2:4][c:5]1[c:6]([Cl:7])[cH:8][cH:9][cH:10][cH:11]1)[c:12]1[cH:13][c:14]([CH:15]=[CH:16][c:17]2[n:18][c:19]3[cH:20][c:21]([F:22])[c:23]([F:24])[cH:25][c:26]3[cH:27][cH:28]2)[cH:29][cH:30][cH:31]1>C[C@H]1[C@H](B(Cl)[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C.ClCCl.OCCNCCO>[OH:1][C@@H:2]([CH2:3][CH2:4][c:5]1[c:6]([Cl:7])[cH:8][cH:9][cH:10][cH:11]1)[c:12]1[cH:13][c:14]([CH:15]=[CH:16][c:17]2[n:18][c:19]3[cH:20][c:21]([F:22])[c:23]([F:24])[cH:25][c:26]3[cH:27][cH:28]2)[cH:29][cH:30][cH:31]1 CLWJLLBSBNGMOI-UHFFFAOYSA-N>>WYVAPFNJVNBZST-SANMLTNESA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][O:2][CH2:3][CH2:4][CH2:5][N:6]1[CH2:7][C:8](=[O:9])[c:10]2[c:11]([s:12][c:13]([Cl:14])[cH:15]2)[S:16]1(=[O:17])=[O:18]>c1ccc(B2OC(c3ccccc3)(c3ccccc3)[C@@H]3CCCN23)cc1>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][N:6]1[CH2:7][C@@H:8]([OH:9])[c:10]2[c:11]([s:12][c:13]([Cl:14])[cH:15]2)[S:16]1(=[O:17])=[O:18] ZMPQRODWIGQDNJ-UHFFFAOYSA-N>>FMNGDEKOOMHKNT-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled True [#16;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[OH;D1;+0:5])-[C:6]-[#7:7]>>[#16;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6]-[#7:7] ad88ac0526a87829aa2da9f1091499a65dcf4ce81448ef85dcbc3949385754e0 O=[C:11]1[CH2:10][C@@H:9]2[CH2:8][CH2:7][C@@H:6]3[C@H:5]([CH2:4][CH2:3][C@@:2]4([CH3:1])[C@H:17]3[CH2:18][CH2:19][C@@H:20]4[OH:21])[C@@:15]2([CH3:16])[CH2:14][CH2:13]1.[NH3:12]>CC(=O)O.CO.BC#N.[Na+]>[CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH2:8][C@H:9]4[CH2:10][C@@H:11]([NH2:12])[CH2:13][CH2:14][C@:15]34[CH3:16])[C@@H:17]1[CH2:18][CH2:19][C@@H:20]2[OH:21] NVKAWKQGWWIWPM-ABEVXSGRSA-N.QGZKDVFQNNGYKY-UHFFFAOYSA-N>>WMEBIWWUBWHAOJ-YSZCXEEOSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C:3])-[NH2;D1;+0:4]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[NH3;D0;+0:4] 8901704ef38e64dfd20cf89f5ceba6f9e42cd6c809350433ad42200ceee7b9af O=[C:11]1[CH2:10][C@@H:9]2[CH2:8][CH2:7][C@@H:6]3[C@H:5]([CH2:4][CH2:3][C@@:2]4([CH3:1])[C@H:20]3[CH2:21][CH2:22][C@@H:23]4[OH:24])[C@@:18]2([CH3:19])[CH2:17][CH2:16]1.[NH2:12][CH2:13][CH2:14][NH2:15]>CC(=O)O.CO.BC#N.[Na+]>[CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH2:8][C@H:9]4[CH2:10][C@@H:11]([NH:12][CH2:13][CH2:14][NH2:15])[CH2:16][CH2:17][C@:18]34[CH3:19])[C@@H:20]1[CH2:21][CH2:22][C@@H:23]2[OH:24] NVKAWKQGWWIWPM-ABEVXSGRSA-N.PIICEJLVQHRZGT-UHFFFAOYSA-N>>UDUZJCVUIQJRDH-QKSWPAOXSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C:3])-[NH;D2;+0:5]-[C:4]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[C:4]-[NH2;D1;+0:5] a8e56c9c6336cfc3fc1d08acd8bbc81ff9882c9f18f2ba601555112e48f8efac N[C@@H:9]([CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])[C:11](=[O:12])[OH:13].[BrH:10]>O.O=NO.O=S(=O)(O)O.[K+].[Na+]>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][C@H:9]([Br:10])[C:11](=[O:12])[OH:13] CPELXLSAUQHCOX-UHFFFAOYSA-N.JINGUCXQUOKWKH-VIFPVBQESA-N>>KNLOTZNPRIFUAR-VIFPVBQESA-N 0.0 Unrecognized False stereospecific False [Br;H0;D1;+0:6]-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[BrH;D0;+0:6] 725b99ce5395867b212156ab1585cf7caca701dd3055539d65ad5fa62af6db35 [CH3:1][O:2][CH2:3][C@H:4]1[O:5][C:6](=[O:7])[c:8]2[cH:9][o:10][c:11]3[c:12]2[C@@:13]1([CH3:14])[C:15]1=[C:16]([C:17]3=[O:18])[C@@H:19]2[CH2:20][CH2:21][C:22](=[O:23])[C@@:24]2([CH3:25])[CH2:26][C@H:27]1[O:28][C:29]([CH3:30])=[O:31]>C1CCOC1.CC(C)C[Al+]CC(C)C.Cc1ccccc1.[HH]>[CH3:1][O:2][CH2:3][C@H:4]1[O:5][C:6](=[O:7])[c:8]2[cH:9][o:10][c:11]3[c:12]2[C@@:13]1([CH3:14])[C:15]1=[C:16]([C:17]3=[O:18])[C@@H:19]2[CH2:20][CH2:21][C@H:22]([OH:23])[C@@:24]2([CH3:25])[CH2:26][C@H:27]1[O:28][C:29]([CH3:30])=[O:31] QDLHCMPXEPAAMD-QAIWCSMKSA-N>>XLJORQYAOTYVQS-OGCOKEDGSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 N[C@H:5]([CH2:4][CH:2]([CH3:1])[CH3:3])[C:7](=[O:8])[OH:9].[BrH:6]>O=NO.O=S(=O)(O)O.[K+].[Na+]>[CH3:1][CH:2]([CH3:3])[CH2:4][C@@H:5]([Br:6])[C:7](=[O:8])[OH:9] CPELXLSAUQHCOX-UHFFFAOYSA-N.ROHFNLRQFUQHCH-RXMQYKEDSA-N>>NNFDHJQLIFECSR-RXMQYKEDSA-N 0.0 Unrecognized False stereospecific False [Br;H0;D1;+0:6]-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[BrH;D0;+0:6] ac8d916db1d5034b837f02d3a0ad72568c1299c3b09dba63fc44391a52faf6f6 Br[C@H:5]([CH2:6][C:7]([CH3:8])([CH3:9])[CH3:10])[C:11](=[O:12])[OH:13].[CH3:1][C:2]([OH:3])=[S:4]>CC#N.[K+]>[CH3:1][C:2](=[O:3])[S:4][C@@H:5]([CH2:6][C:7]([CH3:8])([CH3:9])[CH3:10])[C:11](=[O:12])[OH:13] DUYAAUVXQSMXQP-UHFFFAOYSA-N.GOYVVWSDPGPIQG-RXMQYKEDSA-N>>HOKBYUYNAVAJFL-ZETCQYMHSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[S;H0;D2;+0:9]-[C;H0;D3;+0:7](-[C;D1;H3:6])=[O;H0;D1;+0:8])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>Br-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[C;D1;H3:6]-[C;H0;D3;+0:7](-[OH;D1;+0:8])=[S;H0;D1;+0:9] b462146b3f54be48bea64b24df7a464a41691c7466701d7e5454db696e32cb86 Br[C@H:5]([CH3:6])[C:7](=[O:8])[OH:9].[CH3:1][C:2]([OH:3])=[S:4]>CC#N.[K+]>[CH3:1][C:2](=[O:3])[S:4][C@@H:5]([CH3:6])[C:7](=[O:8])[OH:9] DUYAAUVXQSMXQP-UHFFFAOYSA-N.MONMFXREYOKQTI-UWTATZPHSA-N>>SQFDPVZBYCOAJO-VKHMYHEASA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:6]-[C;H0;D3;+0:7](=[O;H0;D1;+0:8])-[S;H0;D2;+0:9]-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>Br-[C@H;D3;+0:1](-[C;D1;H3:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[C;D1;H3:6]-[C;H0;D3;+0:7](-[OH;D1;+0:8])=[S;H0;D1;+0:9] b462146b3f54be48bea64b24df7a464a41691c7466701d7e5454db696e32cb86 N[C@@H:11]([CH2:10][c:9]1[cH:8][c:4]([N+:5](=[O:6])[O-:7])[c:3]([O:2][CH3:1])[cH:17][cH:16]1)[C:13](=[O:14])[OH:15].[ClH:12]>CCOC(C)=O.O=NO.[Na+]>[CH3:1][O:2][c:3]1[c:4]([N+:5](=[O:6])[O-:7])[cH:8][c:9]([CH2:10][C@H:11]([Cl:12])[C:13](=[O:14])[OH:15])[cH:16][cH:17]1 MZNPRACFHIBIGU-ZETCQYMHSA-N.VEXZGXHMUGYJMC-UHFFFAOYSA-N>>DELJEEZDZOKEHF-ZETCQYMHSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[Cl;H0;D1;+0:6])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[ClH;D0;+0:6] 1bfe01a70244b4b5913d8bd43e9ddd3a234f263da8c38252e4f70264512d7d99 [CH3:1][CH:2]([CH3:3])[CH2:4][CH2:5][C:6](=[O:7])[C@H:8]([CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[N:16]([CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>C1CCOC1.CO.B.[Na+]>[CH3:1][CH:2]([CH3:3])[CH2:4][CH2:5][C@H:6]([OH:7])[C@H:8]([CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[N:16]([CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1 ANOZWVKBYHWEBW-MHZLTWQESA-N>>GTRFQVOMPPJWNS-NSOVKSMOSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C:2](=[O:3])[NH:4][C@@H:5]([CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[CH2:13][C:14](=[O:15])[C@H:16]([CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[N:24]([CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[CH2:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>CO.Cl.B.[Na+]>[CH3:1][C:2](=[O:3])[NH:4][C@@H:5]([CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[CH2:13][C@H:14]([OH:15])[C@H:16]([CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[N:24]([CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[CH2:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1 UBMCPVMTRHZTOG-LQJZCPKCSA-N>>XKRYPEQJQGUFEJ-AFEGWXKPSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][O:2][C:3](=[O:4])[NH:5][C@@H:6]([CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[C:14](=[O:15])[CH2:16][Cl:17]>CCO.Cl.O>[CH3:1][O:2][C:3](=[O:4])[NH:5][C@@H:6]([CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[C@H:14]([OH:15])[CH2:16][Cl:17] VFHUZXQGMFOLRF-JTQLQIEISA-N>>ZAZXPIZQYVPWAW-WDEREUQCSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 CS(=O)(=O)O[C@@H:4]1[CH2:5][CH2:6][c:7]2[c:8]([F:9])[cH:10][c:11]([F:12])[cH:13][c:14]2[CH2:15]1.[N-:1]=[N+:2]=[N-:3]>CN(C)C=O.[Li+]>[N-:1]=[N+:2]=[N:3][C@H:4]1[CH2:5][CH2:6][c:7]2[c:8]([F:9])[cH:10][c:11]([F:12])[cH:13][c:14]2[CH2:15]1 DBAIYVSATDTERJ-SECBINFHSA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>RMBIPFIWJSKOFS-QMMMGPOBSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 492c430f48d637aab0c971721cb4d8366eed9f75b9bf7a9ee5b238cfd7eb0d61 [O:1]=[C:2]([CH2:3][Cl:4])[c:5]1[cH:6][cH:7][cH:8][n:9][cH:10]1>C1CCOC1.CCN(CC)CC.CCOC(C)=O.C[C@H]1[C@H](B(Cl)[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C.Cl.O>[OH:1][C@@H:2]([CH2:3][Cl:4])[c:5]1[cH:6][cH:7][cH:8][n:9][cH:10]1 RVOFYCMAWQUUEI-UHFFFAOYSA-N>>LCBCRIBFOZSPJL-ZETCQYMHSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 8195ad48987c12d459870b75bedef46a37480b4c6c44771b180631aa2774a53a [O:1]=[C:2]1[CH2:3][CH2:4][CH2:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21>B.C1CCOC1.CN1B[C@H](c2ccccc2)[C@@H](c2ccccc2)O1.CSC>[OH:1][C@@H:2]1[CH2:3][CH2:4][CH2:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21 XHLHPRDBBAGVEG-UHFFFAOYSA-N>>JAAJQSRLGAYGKZ-SNVBAGLBSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 Br[CH2:5][c:6]1[cH:7][cH:8][c:9]([C:10]([CH3:11])([CH3:12])[CH3:13])[cH:14][cH:15]1.[CH3:1][CH:2]([CH3:3])[CH2:4][C:16](=[O:17])[N:18]1[C:19](=[O:20])[O:21][CH2:22][C@H:23]1[CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.Cl.[Li+].N>[CH3:1][CH:2]([CH3:3])[C@@H:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([C:10]([CH3:11])([CH3:12])[CH3:13])[cH:14][cH:15]1)[C:16](=[O:17])[N:18]1[C:19](=[O:20])[O:21][CH2:22][C@H:23]1[CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1 JHGXEUXQJIKZMY-CYBMUJFWSA-N.QZNQSIHCDAGZIA-UHFFFAOYSA-N>>VDMIOWMGASSSAQ-DHIUTWEWSA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[C:7])-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]-[C:4](=[O;D1;H0:5])-[CH2;D2;+0:6]-[C:7] f5b34d4e85989cf9c6bd7da35887728ff2172ffe1e9da70d2e850fb1076c7320 [O:1]=[C:2]([CH2:3][Cl:4])[c:5]1[cH:6][cH:7][cH:8][n:9][cH:10]1>C1CCOC1.CCN(CC)CC.CCOC(C)=O.C[C@H]1[C@H](B(Cl)[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C.Cl.O>[OH:1][C@@H:2]([CH2:3][Cl:4])[c:5]1[cH:6][cH:7][cH:8][n:9][cH:10]1 RVOFYCMAWQUUEI-UHFFFAOYSA-N>>LCBCRIBFOZSPJL-ZETCQYMHSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 59818681547a35b540f5f8f7dbade1077a9ae258660c4149c86b99538d1ed2c0 [O:1]=[C:2]1[CH2:3][CH2:4][CH2:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21>B.C1CCOC1.CN1B[C@H](c2ccccc2)[C@@H](c2ccccc2)O1.CSC>[OH:1][C@@H:2]1[CH2:3][CH2:4][CH2:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21 XHLHPRDBBAGVEG-UHFFFAOYSA-N>>JAAJQSRLGAYGKZ-SNVBAGLBSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c Br[CH2:14][c:13]1[cH:12][cH:11][c:8]([O:9][CH3:10])[c:7]([O:6][CH2:5][CH2:4][CH2:3][O:2][CH3:1])[cH:34]1.[CH2:15]([C:16](=[O:17])[N:18]1[C:19](=[O:20])[O:21][CH2:22][C@H:23]1[CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[CH:31]([CH3:32])[CH3:33]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.Cl.[Li+].N>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][O:6][c:7]1[c:8]([O:9][CH3:10])[cH:11][cH:12][c:13]([CH2:14][C@@H:15]([C:16](=[O:17])[N:18]2[C:19](=[O:20])[O:21][CH2:22][C@H:23]2[CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH:31]([CH3:32])[CH3:33])[cH:34]1 JHGXEUXQJIKZMY-CYBMUJFWSA-N.QPFGFFCEZXPGLD-UHFFFAOYSA-N>>NZCPISUFGDFLMX-DHIUTWEWSA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[C:7])-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]-[C:4](=[O;D1;H0:5])-[CH2;D2;+0:6]-[C:7] f5b34d4e85989cf9c6bd7da35887728ff2172ffe1e9da70d2e850fb1076c7320 O[C@@H:16]([CH2:15][n:14]1[c:6]2[c:7]([cH:12][n:13]1)=[C:8]1[C:4](=[C:3]([O:2][CH3:1])[CH:11]=[CH:10][CH2:9]1)[CH:5]=2)[CH3:17].[N-:18]=[N+:19]=[N-:20]>CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.Cl.[Na+].[Na+]>[CH3:1][O:2][C:3]1=[C:4]2[CH:5]=[c:6]3[c:7]([cH:12][n:13][n:14]3[CH2:15][C@H:16]([CH3:17])[N:18]=[N+:19]=[N-:20])=[C:8]2[CH2:9][CH:10]=[CH:11]1 AABPLWIVKOKPPK-SECBINFHSA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>UNRLPWYVIQPMSY-VIFPVBQESA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@@H:17]([CH2:16][n:15]1[c:5]2[c:6]([cH:13][n:14]1)=[C:7]1[C:3](=[C:2]([CH3:1])[CH:12]=[CH:11][C:8]1([CH3:9])[CH3:10])[CH:4]=2)[CH3:18].[N-:19]=[N+:20]=[N-:21]>CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.Cl.[Na+].[Na+]>[CH3:1][C:2]1=[C:3]2[CH:4]=[c:5]3[c:6]([cH:13][n:14][n:15]3[CH2:16][C@H:17]([CH3:18])[N:19]=[N+:20]=[N-:21])=[C:7]2[C:8]([CH3:9])([CH3:10])[CH:11]=[CH:12]1 IVRMZWNICZWHMI-UHFFFAOYSA-N.XELFGNGTXGCKNP-LLVKDONJSA-N>>XHQVMHUMXCKQQB-NSHDSACASA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@@H:18]([CH2:17][n:16]1[c:6]2[c:7]([cH:14][n:15]1)=[C:8]1[C:4](=[C:3]([O:2][CH3:1])[CH:13]=[CH:12][C:9]1([CH3:10])[CH3:11])[CH:5]=2)[CH3:19].[N-:20]=[N+:21]=[N-:22]>CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.Cl.[Na+].[Na+]>[CH3:1][O:2][C:3]1=[C:4]2[CH:5]=[c:6]3[c:7]([cH:14][n:15][n:16]3[CH2:17][C@H:18]([CH3:19])[N:20]=[N+:21]=[N-:22])=[C:8]2[C:9]([CH3:10])([CH3:11])[CH:12]=[CH:13]1 IVRMZWNICZWHMI-UHFFFAOYSA-N.YDFCLVJLXOBVIQ-SNVBAGLBSA-N>>BNXGGDVLSDAYNW-JTQLQIEISA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@H:16]([CH2:15][n:14]1[c:6]2[c:7]([cH:12][n:13]1)=[C:8]1[C:4](=[C:3]([O:2][CH3:1])[CH:11]=[CH:10][CH2:9]1)[CH:5]=2)[CH3:17].[N-:18]=[N+:19]=[N-:20]>CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.Cl.[Na+].[Na+]>[CH3:1][O:2][C:3]1=[C:4]2[CH:5]=[c:6]3[c:7]([cH:12][n:13][n:14]3[CH2:15][C@@H:16]([CH3:17])[N:18]=[N+:19]=[N-:20])=[C:8]2[CH2:9][CH:10]=[CH:11]1 AABPLWIVKOKPPK-VIFPVBQESA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>UNRLPWYVIQPMSY-SECBINFHSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 9128891bb9417aaeeffb60ae1360f160db9769bc59ca497e3cb357823fcb8ac8 O[C@H:17]([CH2:16][n:15]1[c:7]2[c:8]([cH:13][n:14]1)=[C:9]1[C:5](=[C:4]([O:3][CH2:2][CH3:1])[CH:12]=[CH:11][CH2:10]1)[CH:6]=2)[CH3:18].[N-:19]=[N+:20]=[N-:21]>CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.Cl.[Na+].[Na+]>[CH3:1][CH2:2][O:3][C:4]1=[C:5]2[CH:6]=[c:7]3[c:8]([cH:13][n:14][n:15]3[CH2:16][C@@H:17]([CH3:18])[N:19]=[N+:20]=[N-:21])=[C:9]2[CH2:10][CH:11]=[CH:12]1 IVRMZWNICZWHMI-UHFFFAOYSA-N.UWFYWMWETCQJEB-JTQLQIEISA-N>>MGTYFZZVLYINIU-SNVBAGLBSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 9128891bb9417aaeeffb60ae1360f160db9769bc59ca497e3cb357823fcb8ac8 O=[C:3]([CH2:2][CH3:1])[C:13]([CH3:14])([CH3:15])[CH3:16].[NH2:4][C@H:5]([CH3:6])[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1>Cl[Ti](Cl)(Cl)Cl.B.[Na+].c1ccccc1>[CH3:1][CH2:2][C@@H:3]([NH:4][C@H:5]([CH3:6])[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[C:13]([CH3:14])([CH3:15])[CH3:16] RQEUFEKYXDPUSK-SSDOTTSWSA-N.VLNUTKMHYLQCQB-UHFFFAOYSA-N>>LUGJAFJPQATHEI-TZMCWYRMSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 e2359fb816f6bae4d842f90c85938e1b4e834430a7315ba854d2d2cb224bedee [CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C@H:9]1[CH2:10][CH2:11][C@:12]3([CH3:13])[C:14](=[O:15])[CH2:16][C:17]([CH3:18])([CH3:19])[C@H:20]3[C@@H:21]1[CH2:22][CH2:23]2>C1CCOC1.O=C(O)O.[Al+3].[HH].[HH].[HH].[HH].[Li+].[Na+]>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C@H:9]1[CH2:10][CH2:11][C@:12]3([CH3:13])[C@@H:14]([OH:15])[CH2:16][C:17]([CH3:18])([CH3:19])[C@H:20]3[C@@H:21]1[CH2:22][CH2:23]2 XCINCSASDZNGIJ-VGUOSERISA-N>>OLMKQQUNMXCBIZ-GQUPQBGVSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][CH2:2][C@@:3]1([CH3:4])[CH2:5][C:6](=[O:7])[C@@:8]2([CH3:9])[CH2:10][CH2:11][C@@H:12]3[c:13]4[c:14]([cH:15][c:16]([O:17][CH3:18])[cH:19][cH:20]4)[CH2:21][CH2:22][C@H:23]3[C@H:24]12>C1CCOC1.O=C(O)O.[Al+3].[HH].[HH].[HH].[HH].[Li+].[Na+]>[CH3:1][CH2:2][C@@:3]1([CH3:4])[CH2:5][C@H:6]([OH:7])[C@@:8]2([CH3:9])[CH2:10][CH2:11][C@@H:12]3[c:13]4[c:14]([cH:15][c:16]([O:17][CH3:18])[cH:19][cH:20]4)[CH2:21][CH2:22][C@H:23]3[C@H:24]12 DGZCQQFKTAGFTA-FTSHXLFYSA-N>>WTFPLRONVPBQQI-OVQJPPBNSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C@H:9]1[CH2:10][CH2:11][C@:12]3([CH3:13])[C:14](=[O:15])[CH2:16][C@:17]([CH3:18])([CH:19]([CH3:20])[CH3:21])[C@H:22]3[C@@H:23]1[CH2:24][CH2:25]2>C1CCOC1.O=C(O)O.[Al+3].[HH].[HH].[HH].[HH].[Li+].[Na+]>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C@H:9]1[CH2:10][CH2:11][C@:12]3([CH3:13])[C@@H:14]([OH:15])[CH2:16][C@:17]([CH3:18])([CH:19]([CH3:20])[CH3:21])[C@H:22]3[C@@H:23]1[CH2:24][CH2:25]2 RSSBBOFBPLKPRF-OTRDUVHRSA-N>>WSSCVYFEJLFTHM-WSJQOYCOSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C@:2]12[CH2:3][C@H:4]3[O:5][C@H:6]3[CH2:7][C@@H:8]1[CH2:9][CH2:10][C@@H:11]1[C@@H:12]2[CH2:13][CH2:14][C@@:15]2([CH3:16])[C@H:17]1[CH2:18][C@H:19]([N:20]1[CH2:21][CH2:22][CH2:23][CH2:24]1)[C:25]2=[O:26]>CO.ClCCl.B.[Na+]>[CH3:1][C@:2]12[CH2:3][C@H:4]3[O:5][C@H:6]3[CH2:7][C@@H:8]1[CH2:9][CH2:10][C@@H:11]1[C@@H:12]2[CH2:13][CH2:14][C@@:15]2([CH3:16])[C@H:17]1[CH2:18][C@H:19]([N:20]1[CH2:21][CH2:22][CH2:23][CH2:24]1)[C@@H:25]2[OH:26] ZZMJTNMGPPBIOY-CLGWBQSRSA-N>>OPYVYACKKDTREB-NXECLLCESA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C@:2]12[CH2:3][C@H:4]3[O:5][C@H:6]3[CH2:7][C@@H:8]1[CH2:9][CH2:10][C@@H:11]1[C@@H:12]2[CH2:13][CH2:14][C@@:15]2([CH3:16])[C@H:17]1[CH2:18][C@H:19]([N:20]1[CH2:21][CH2:22][C:23]3([CH2:24][CH2:25]1)[O:26][CH2:27][CH2:28][O:29]3)[C:30]2=[O:31]>B.[Na+]>[CH3:1][C@:2]12[CH2:3][C@H:4]3[O:5][C@H:6]3[CH2:7][C@@H:8]1[CH2:9][CH2:10][C@@H:11]1[C@@H:12]2[CH2:13][CH2:14][C@@:15]2([CH3:16])[C@H:17]1[CH2:18][C@H:19]([N:20]1[CH2:21][CH2:22][C:23]3([CH2:24][CH2:25]1)[O:26][CH2:27][CH2:28][O:29]3)[C@@H:30]2[OH:31] NTDZPYSYCTVWMJ-MGQCJKQXSA-N>>VCJQVJHLNIHFNH-DCEQMHKTSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C@:2]12[CH2:3][C@H:4]3[O:5][C@H:6]3[CH2:7][C@@H:8]1[CH2:9][CH2:10][C@@H:11]1[C@@H:12]2[CH2:13][CH2:14][C@@:15]2([CH3:16])[C@H:17]1[CH2:18][C@H:19]([N:20]1[CH2:21][CH2:22][CH:23]([OH:24])[CH2:25][CH2:26]1)[C:27]2=[O:28]>B.[Na+]>[CH3:1][C@:2]12[CH2:3][C@H:4]3[O:5][C@H:6]3[CH2:7][C@@H:8]1[CH2:9][CH2:10][C@@H:11]1[C@@H:12]2[CH2:13][CH2:14][C@@:15]2([CH3:16])[C@H:17]1[CH2:18][C@H:19]([N:20]1[CH2:21][CH2:22][CH:23]([OH:24])[CH2:25][CH2:26]1)[C@@H:27]2[OH:28] TWIAKDWMBXZCRP-RVPALJNKSA-N>>YLQGYUVEFBTOFB-OIZMYTJMSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 Br[C@H:5]([CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[C:13](=[O:14])[OH:15].[CH3:1][C:2]([OH:3])=[S:4]>O.O=C(O)O.[K+].[K+].[Na+].O>[CH3:1][C:2](=[O:3])[S:4][C@@H:5]([CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[C:13](=[O:14])[OH:15] DUYAAUVXQSMXQP-UHFFFAOYSA-N.WDRSCFNERFONKU-MRVPVSSYSA-N>>UOVSNFYJYANSNI-JTQLQIEISA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[S;H0;D2;+0:9]-[C;H0;D3;+0:7](-[C;D1;H3:6])=[O;H0;D1;+0:8])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>Br-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[C;D1;H3:6]-[C;H0;D3;+0:7](-[OH;D1;+0:8])=[S;H0;D1;+0:9] b462146b3f54be48bea64b24df7a464a41691c7466701d7e5454db696e32cb86 O=[N+]([O-])c1ccc(S(=O)(=O)O[C@@H:6]([C:4]([O:3][CH2:2][CH3:1])=[O:5])[CH2:7][CH2:8][CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)cc1.[NH2:15][C@H:16]1[CH2:17][O:18][c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[N:25]([CH2:26][c:27]2[cH:28][cH:29][c:30]([CH:31]([CH3:32])[CH3:33])[cH:34][cH:35]2)[C:36]1=[O:37]>CCCCCC.CCOC(C)=O.CN(C)C=O.CN1CCOCC1.Cl>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]([CH2:7][CH2:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1)[NH:15][C@H:16]1[CH2:17][O:18][c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[N:25]([CH2:26][c:27]2[cH:28][cH:29][c:30]([CH:31]([CH3:32])[CH3:33])[cH:34][cH:35]2)[C:36]1=[O:37] OZFCJCLQWSLCCF-QGZVFWFLSA-N.YZMNEUXFIOWRSS-INIZCTEOSA-N>>NWNFCHCOUVHVNR-SVBPBHIXSA-N 0.0 Unrecognized False stereospecific False [#7:8]-[C:9](=[O;D1;H0:10])-[C:11]-[NH;D2;+0:12]-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7]>>O=[N+](-[O-])-c1:c:c:c(-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7]):c:c:1.[#7:8]-[C:9](=[O;D1;H0:10])-[C:11]-[NH2;D1;+0:12] 144017e97edb8995ee1924dc1b9f6f430e1b47e1398c3cc5f2d41e4920d7b9b8 O=[N+]([O-])c1ccc(S(=O)(=O)O[C@@H:6]([C:4]([O:3][CH2:2][CH3:1])=[O:5])[CH2:7][CH2:8][CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)cc1.[NH2:15][C@@H:16]1[CH2:17][O:18][c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[N:25]([CH2:26][c:27]2[cH:28][cH:29][c:30]([CH:31]([CH3:32])[CH3:33])[cH:34][cH:35]2)[C:36]1=[O:37]>CCCCCC.CCOC(C)=O.CN1CCOCC1.Cl>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]([CH2:7][CH2:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1)[NH:15][C@@H:16]1[CH2:17][O:18][c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[N:25]([CH2:26][c:27]2[cH:28][cH:29][c:30]([CH:31]([CH3:32])[CH3:33])[cH:34][cH:35]2)[C:36]1=[O:37] OZFCJCLQWSLCCF-QGZVFWFLSA-N.YZMNEUXFIOWRSS-MRXNPFEDSA-N>>NWNFCHCOUVHVNR-RRPNLBNLSA-N 0.0 Unrecognized False stereospecific False [#7:8]-[C:9](=[O;D1;H0:10])-[C:11]-[NH;D2;+0:12]-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7]>>O=[N+](-[O-])-c1:c:c:c(-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7]):c:c:1.[#7:8]-[C:9](=[O;D1;H0:10])-[C:11]-[NH2;D1;+0:12] 144017e97edb8995ee1924dc1b9f6f430e1b47e1398c3cc5f2d41e4920d7b9b8 [CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6]([CH3:7])([CH3:8])[c:9]1[cH:10][cH:11][c:12]([C:13](=[O:14])[CH2:15][CH2:16][CH2:17][N:18]2[CH2:19][CH2:20][CH:21]([C:22]([OH:23])([c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[CH2:36][CH2:37]2)[cH:38][cH:39]1>C1CCOC1.C[C@@H]1[C@@H]2C[C@@H](C[C@H]1B(Cl)[C@@H]1C[C@@H]3C[C@H]([C@H]1C)C3(C)C)C2(C)C.O.OO>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6]([CH3:7])([CH3:8])[c:9]1[cH:10][cH:11][c:12]([C@@H:13]([OH:14])[CH2:15][CH2:16][CH2:17][N:18]2[CH2:19][CH2:20][CH:21]([C:22]([OH:23])([c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[CH2:36][CH2:37]2)[cH:38][cH:39]1 WUWWDNWDODGALA-UHFFFAOYSA-N>>BKGNRWXKVMPQJE-HKBQPEDESA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C@H:6]([OH:7])/[CH:8]=[CH:9]/[C@H:10]1[C@H:11]([OH:12])[CH2:13][C:14](=[O:15])[C@@H:16]1[CH2:17]/[CH:18]=[CH:19]\[CH2:20][CH2:21][CH2:22][C:23](=[O:24])[OH:25]>O=C(O)CC1COCCO1.c1ccccc1>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C@H:6]([OH:7])/[CH:8]=[CH:9]/[C@H:10]1[C@H:11]([OH:12])[CH2:13][C@@H:14]([OH:15])[C@@H:16]1[CH2:17]/[CH:18]=[CH:19]\[CH2:20][CH2:21][CH2:22][C:23](=[O:24])[OH:25] XEYBRNLFEZDVAW-ARSRFYASSA-N>>PXGPLTODNUVGFL-JZFBHDEDSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6]([CH3:7])([CH3:8])[c:9]1[cH:10][cH:11][c:12]([C:13](=[O:14])[CH2:15][CH2:16][CH2:17][N:18]2[CH2:19][CH2:20][CH:21]([C:22]([OH:23])([c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[CH2:36][CH2:37]2)[cH:38][cH:39]1>C1CCOC1.C[C@@H]1[C@@H]2C[C@@H](C[C@H]1B(Cl)[C@@H]1C[C@@H]3C[C@H]([C@H]1C)C3(C)C)C2(C)C.O.OO>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6]([CH3:7])([CH3:8])[c:9]1[cH:10][cH:11][c:12]([C@@H:13]([OH:14])[CH2:15][CH2:16][CH2:17][N:18]2[CH2:19][CH2:20][CH:21]([C:22]([OH:23])([c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[CH2:36][CH2:37]2)[cH:38][cH:39]1 WUWWDNWDODGALA-UHFFFAOYSA-N>>BKGNRWXKVMPQJE-HKBQPEDESA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][C@H:2]1[C@H:3]2[C@H:4]([CH2:5][C@H:6]3[C@@H:7]4[CH2:8][CH2:9][C@H:10]5[CH2:11][C@@H:12]([OH:13])[CH2:14][CH2:15][C@:16]5([CH3:17])[C@H:18]4[C:19](=[O:20])[CH2:21][C@:22]23[CH3:23])[O:24][C@:25]12[CH2:26][CH2:27][C@@H:28]([CH3:29])[CH2:30][O:31]2>C1CCOC1.[Al+3].[HH].[HH].[HH].[HH].[Li+]>[CH3:1][C@H:2]1[C@H:3]2[C@H:4]([CH2:5][C@H:6]3[C@@H:7]4[CH2:8][CH2:9][C@H:10]5[CH2:11][C@@H:12]([OH:13])[CH2:14][CH2:15][C@:16]5([CH3:17])[C@H:18]4[C@@H:19]([OH:20])[CH2:21][C@:22]23[CH3:23])[O:24][C@:25]12[CH2:26][CH2:27][C@@H:28]([CH3:29])[CH2:30][O:31]2 QVZULXNXCIFMTL-IXCVKQQLSA-N>>IVURHZJIYJKPLX-XGLSGGGCSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C@H:2]1[C@H:3]2[C@H:4]([CH2:5][C@H:6]3[C@@H:7]4[CH2:8][CH2:9][C@H:10]5[CH2:11][C@@H:12]([OH:13])[CH2:14][CH2:15][C@:16]5([CH3:17])[C@H:18]4[C:19](=[O:20])[CH2:21][C@:22]23[CH3:23])[O:24][C@:25]12[CH2:26][CH2:27][C@@H:28]([CH3:29])[CH2:30][O:31]2>N.[Li]>[CH3:1][C@H:2]1[C@H:3]2[C@H:4]([CH2:5][C@H:6]3[C@@H:7]4[CH2:8][CH2:9][C@H:10]5[CH2:11][C@@H:12]([OH:13])[CH2:14][CH2:15][C@:16]5([CH3:17])[C@H:18]4[C@H:19]([OH:20])[CH2:21][C@:22]23[CH3:23])[O:24][C@:25]12[CH2:26][CH2:27][C@@H:28]([CH3:29])[CH2:30][O:31]2 QVZULXNXCIFMTL-IXCVKQQLSA-N>>IVURHZJIYJKPLX-GGVVRDNCSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C@H:2]1[C@H:3]2[C@H:4]([CH2:5][C@H:6]3[C@@H:7]4[CH2:8][CH2:9][C@H:10]5[CH2:11][C@@H:12]([OH:13])[CH2:14][CH2:15][C@:16]5([CH3:17])[C@H:18]4[CH2:19][C:20](=[O:21])[C@:22]23[CH3:23])[O:24][C@:25]12[CH2:26][CH2:27][C@@H:28]([CH3:29])[CH2:30][O:31]2>CCOCC.[Al+3].[HH].[HH].[HH].[HH].[Li+]>[CH3:1][C@H:2]1[C@H:3]2[C@H:4]([CH2:5][C@H:6]3[C@@H:7]4[CH2:8][CH2:9][C@H:10]5[CH2:11][C@@H:12]([OH:13])[CH2:14][CH2:15][C@:16]5([CH3:17])[C@H:18]4[CH2:19][C@@H:20]([OH:21])[C@:22]23[CH3:23])[O:24][C@:25]12[CH2:26][CH2:27][C@@H:28]([CH3:29])[CH2:30][O:31]2 QOLRLLFJMZLYQJ-LOBDNJQFSA-N>>BQNMOLSYHYSCMS-TUUYSWIFSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C@H:2]1[C@H:3]2[C@H:4]([CH2:5][C@H:6]3[C@@H:7]4[CH2:8][CH2:9][C@H:10]5[CH2:11][C@@H:12]([O:13][Si:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:21][CH2:22][C@:23]5([CH3:24])[C@H:25]4[C:26](=[O:27])[C@@H:28]([OH:29])[C@:30]23[CH3:31])[O:32][C@:33]12[CH2:34][CH2:35][C@@H:36]([CH3:37])[CH2:38][O:39]2>C1CCOC1.[Al+3].[HH].[HH].[HH].[HH].[Li+]>[CH3:1][C@H:2]1[C@H:3]2[C@H:4]([CH2:5][C@H:6]3[C@@H:7]4[CH2:8][CH2:9][C@H:10]5[CH2:11][C@@H:12]([O:13][Si:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:21][CH2:22][C@:23]5([CH3:24])[C@H:25]4[C@@H:26]([OH:27])[C@@H:28]([OH:29])[C@:30]23[CH3:31])[O:32][C@:33]12[CH2:34][CH2:35][C@@H:36]([CH3:37])[CH2:38][O:39]2 YDJGGGNNPYVAHS-QMHKXNNTSA-N>>FFICBVVPYPWZPU-FVBYKPIYSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d I[CH3:6].[CH3:1][O:2][c:3]1[c:4]([CH2:5][C:7](=[O:8])[N:9]2[C:10](=[O:11])[O:12][C@H:13]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[C@H:20]2[CH3:21])[cH:22][cH:23][cH:24][cH:25]1>C1CCOC1.CC(=O)O.CCOC(C)=O>[CH3:1][O:2][c:3]1[c:4]([C@@H:5]([CH3:6])[C:7](=[O:8])[N:9]2[C:10](=[O:11])[O:12][C@H:13]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[C@H:20]2[CH3:21])[cH:22][cH:23][cH:24][cH:25]1 AWWGCTHFNOCGCA-ACJLOTCBSA-N.INQOMBQAUSQDDS-UHFFFAOYSA-N>>SKIJTVOHVVYJJU-LBTNJELSSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[CH3;D1;+0:1])-[c:6]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[c:6] 4408f97d137a726e1ab3843c13949afd149d8ae22ca196aabdfd63f64c9b350a [CH3:1][C@@:2]12[CH:3]=[CH:4][CH2:5][C@H:6]1[C@@H:7]1[CH2:8][CH2:9][CH:10]3[CH2:11][C:12](=[O:13])[CH2:14][CH2:15][C@@H:16]3[C@H:17]1[CH2:18][CH2:19]2>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.CCOCC.O.OO.[Li+].[Na+].O>[CH3:1][C@@:2]12[CH:3]=[CH:4][CH2:5][C@H:6]1[C@@H:7]1[CH2:8][CH2:9][CH:10]3[CH2:11][C@H:12]([OH:13])[CH2:14][CH2:15][C@@H:16]3[C@H:17]1[CH2:18][CH2:19]2 HJAUZNUESCSDDI-GSNZFIHSSA-N>>SSDXNDMOQCFOCV-SXOJSTHPSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 C[O:12][C:11]1=[CH:13][CH2:14][C:15]2=[C:9]([CH2:8][CH2:7][C@H:6]3[C@@H:5]4[CH2:4][CH2:3][C:2](=[CH2:1])[C@@:19]4([CH3:20])[CH2:18][CH2:17][C@@H:16]32)[CH2:10]1>CC(C)=O.CO.Cl.O.O=C(O)O.[Na+]>[CH2:1]=[C:2]1[CH2:3][CH2:4][C@H:5]2[C@@H:6]3[CH2:7][CH2:8][C:9]4=[CH:10][C:11](=[O:12])[CH2:13][CH2:14][C@@H:15]4[C@H:16]3[CH2:17][CH2:18][C@:19]12[CH3:20] TXDPJAZHGVTTOR-YSTOQKLRSA-N>>PCBFYNFHROSKSS-BRIYLRKRSA-N 0.0 Unrecognized False substrate controlled False [C:6]-[C@H;D3;+0:5]1-[C:4]-[CH2;D2;+0:3]-[C;H0;D3;+0:2](=[O;H0;D1;+0:1])-[CH;D2;+0:9]=[C;H0;D3;+0:7]-1-[C:8]>>C-[O;H0;D2;+0:1]-[C;H0;D3;+0:2]1=[CH;D2;+0:3]-[C:4]-[C;H0;D3;+0:5](-[C:6])=[C;H0;D3;+0:7](-[C:8])-[CH2;D2;+0:9]-1 c53460fddee8c36516c258351546efc0b2b4e8c5e9838b59136a2ca8c03e9a0f [CH2:1]=[C:2]1[CH2:3][CH2:4][C@H:5]2[C@@H:6]3[CH2:7][CH2:8][C:9]4=[CH:10][C:11](=[O:12])[CH2:13][CH2:14][C@@H:15]4[C@H:16]3[CH2:17][CH2:18][C@:19]12[CH3:20]>CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C.CCOCC.O=S(=O)(O)O.[Li+].[Na+].[Na+]>[CH2:1]=[C:2]1[CH2:3][CH2:4][C@H:5]2[C@@H:6]3[CH2:7][CH2:8][C:9]4=[CH:10][C@@H:11]([OH:12])[CH2:13][CH2:14][C@@H:15]4[C@H:16]3[CH2:17][CH2:18][C@:19]12[CH3:20] PCBFYNFHROSKSS-BRIYLRKRSA-N>>MYKROTFZVUCVCJ-DTXAGUPXSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]=[C:5]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]=[C:5] 30b58d787d9916ad48be3323fde35e4d1c60b573ffde717577d2f36c035f619a Br[CH2:7][C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14].[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C:15](=[O:16])[N:17]1[C:18](=[O:19])[O:20][CH2:21][C@@H:22]1[CH:23]([CH3:24])[CH3:25]>C1CCOC1.CC(C)NC(C)C.Cl.[Li+].N>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C@H:6]([CH2:7][C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[C:15](=[O:16])[N:17]1[C:18](=[O:19])[O:20][CH2:21][C@@H:22]1[CH:23]([CH3:24])[CH3:25] BNWCETAHAJSBFG-UHFFFAOYSA-N.NQPAXHBLTMWQLS-LLVKDONJSA-N>>WUJMQRANTBDPAP-HUUCEWRRSA-N 0.0 Unrecognized False substrate controlled False [#7:9]-[C:10](=[O;D1;H0:11])-[C@H;D3;+0:12](-[C:13])-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8]>>Br-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8].[#7:9]-[C:10](=[O;D1;H0:11])-[CH2;D2;+0:12]-[C:13] 13fabe3179acc35e807f6dcf92033fb8f67f00945b64e9fb074a77e62595aa31 Br[CH2:6][C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13].[CH3:1][CH:2]([CH3:3])[CH2:4][CH2:5][C:14](=[O:15])[N:16]1[C:17](=[O:18])[O:19][CH2:20][C@@H:21]1[CH:22]([CH3:23])[CH3:24]>>[CH3:1][CH:2]([CH3:3])[CH2:4][C@H:5]([CH2:6][C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[C:14](=[O:15])[N:16]1[C:17](=[O:18])[O:19][CH2:20][C@@H:21]1[CH:22]([CH3:23])[CH3:24] BNWCETAHAJSBFG-UHFFFAOYSA-N.VGMWZVMXAAKMKC-SNVBAGLBSA-N>>IHGLYFXGPXFNRH-ZIAGYGMSSA-N 0.0 Unrecognized False substrate controlled False [#7:9]-[C:10](=[O;D1;H0:11])-[C@H;D3;+0:12](-[C:13])-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8]>>Br-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8].[#7:9]-[C:10](=[O;D1;H0:11])-[CH2;D2;+0:12]-[C:13] 13fabe3179acc35e807f6dcf92033fb8f67f00945b64e9fb074a77e62595aa31 Br[CH2:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17].[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C:18](=[O:19])[N:20]1[C:21](=[O:22])[O:23][CH2:24][C@@H:25]1[CH:26]([CH3:27])[CH3:28]>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][C@H:9]([CH2:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[C:18](=[O:19])[N:20]1[C:21](=[O:22])[O:23][CH2:24][C@@H:25]1[CH:26]([CH3:27])[CH3:28] BNWCETAHAJSBFG-UHFFFAOYSA-N.IFRZFDSYBUSKTH-CQSZACIVSA-N>>REWACOFIMSENDO-QZTJIDSGSA-N 0.0 Unrecognized False substrate controlled False [#7:9]-[C:10](=[O;D1;H0:11])-[C@H;D3;+0:12](-[C:13])-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8]>>Br-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8].[#7:9]-[C:10](=[O;D1;H0:11])-[CH2;D2;+0:12]-[C:13] 13fabe3179acc35e807f6dcf92033fb8f67f00945b64e9fb074a77e62595aa31 Br[CH2:8][C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15].[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C:16](=[O:17])[N:18]1[C:19](=[O:20])[O:21][CH2:22][C@@H:23]1[CH:24]([CH3:25])[CH3:26]>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C@H:7]([CH2:8][C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[C:16](=[O:17])[N:18]1[C:19](=[O:20])[O:21][CH2:22][C@@H:23]1[CH:24]([CH3:25])[CH3:26] BNWCETAHAJSBFG-UHFFFAOYSA-N.IFVWDYWPMDSONJ-GFCCVEGCSA-N>>RSHMPNOVIGWOIC-HZPDHXFCSA-N 0.0 Unrecognized False substrate controlled False [#7:9]-[C:10](=[O;D1;H0:11])-[C@H;D3;+0:12](-[C:13])-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8]>>Br-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8].[#7:9]-[C:10](=[O;D1;H0:11])-[CH2;D2;+0:12]-[C:13] 13fabe3179acc35e807f6dcf92033fb8f67f00945b64e9fb074a77e62595aa31 Br[CH2:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16].[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][C:17](=[O:18])[N:19]1[C:20](=[O:21])[O:22][CH2:23][C@@H:24]1[CH:25]([CH3:26])[CH3:27]>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C@H:8]([CH2:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[C:17](=[O:18])[N:19]1[C:20](=[O:21])[O:22][CH2:23][C@@H:24]1[CH:25]([CH3:26])[CH3:27] BAPGYWKUEFAYAM-CYBMUJFWSA-N.BNWCETAHAJSBFG-UHFFFAOYSA-N>>YGARDOLODZOYTK-IAGOWNOFSA-N 0.0 Unrecognized False substrate controlled False [#7:9]-[C:10](=[O;D1;H0:11])-[C@H;D3;+0:12](-[C:13])-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8]>>Br-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8].[#7:9]-[C:10](=[O;D1;H0:11])-[CH2;D2;+0:12]-[C:13] 13fabe3179acc35e807f6dcf92033fb8f67f00945b64e9fb074a77e62595aa31 Br[CH2:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28].[CH3:1][CH:2]([CH3:3])[C@H:4]1[CH2:5][O:6][C:7](=[O:8])[N:9]1[C:10](=[O:11])[CH2:12][CH2:13][CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1>>[CH3:1][CH:2]([CH3:3])[C@H:4]1[CH2:5][O:6][C:7](=[O:8])[N:9]1[C:10](=[O:11])[C@H:12]([CH2:13][CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[CH2:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28] AHZMIKCQCWXFPK-CQSZACIVSA-N.BNWCETAHAJSBFG-UHFFFAOYSA-N>>FHYQITYEJJYDJA-QZTJIDSGSA-N 0.0 Unrecognized False substrate controlled False [#7:9]-[C:10](=[O;D1;H0:11])-[C@H;D3;+0:12](-[C:13])-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8]>>Br-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8].[#7:9]-[C:10](=[O;D1;H0:11])-[CH2;D2;+0:12]-[C:13] 13fabe3179acc35e807f6dcf92033fb8f67f00945b64e9fb074a77e62595aa31 [CH3:1][C:2](=[O:3])[C@@H:4]([CH2:5]/[CH:6]=[CH:7]/[c:8]1[cH:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]2[cH:16][cH:17]1)[c:18]1[cH:19][cH:20][c:21]([Cl:22])[cH:23][cH:24]1>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.OO.[Li+].[Na+].O>[CH3:1][C@H:2]([OH:3])[C@@H:4]([CH2:5]/[CH:6]=[CH:7]/[c:8]1[cH:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]2[cH:16][cH:17]1)[c:18]1[cH:19][cH:20][c:21]([Cl:22])[cH:23][cH:24]1 GHLQUCPQAMESQQ-TWKPZUECSA-N>>IPFLBFLAQXRUDK-XBQZDBRBSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C;D1;H3:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 Br[CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]1[CH2:18][CH2:19][C:27](=[O:28])[O:29]1>C1CCOC1.CCC(=O)O.CCOC(C)=O.CN1CCCN(C)C1=O.C[Si](C)(C)N[Si](C)(C)C.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Li+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]1[CH2:18][C@@H:19]([CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[C:27](=[O:28])[O:29]1 AGEZXYOZHKGVCM-UHFFFAOYSA-N.YZDUNYUENNWBRE-KBPBESRZSA-N>>APKWYHZUGMVPDD-HKBOAZHASA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>Br-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 c34de8b187abb041b2c73bdd7e1f00481957a40f634fe1f6b248ef3c8ecce090 Br[CH2:20][c:21]1[c:22]([C:23]#[N:24])[cH:25][cH:26][cH:27][cH:28]1.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]1[CH2:18][CH2:19][C:29](=[O:30])[O:31]1>C1CCOC1.CCCCCC.CCCCCC.CCOC(C)=O.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]1[CH2:18][C@@H:19]([CH2:20][c:21]2[c:22]([C:23]#[N:24])[cH:25][cH:26][cH:27][cH:28]2)[C:29](=[O:30])[O:31]1 QGXNHCXKWFNKCG-UHFFFAOYSA-N.YZDUNYUENNWBRE-KBPBESRZSA-N>>WDKQPIQSXXOAHV-FSSWDIPSSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>Br-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 c34de8b187abb041b2c73bdd7e1f00481957a40f634fe1f6b248ef3c8ecce090 Br[CH2:20][c:21]1[cH:22][c:23]([C:24]#[N:25])[cH:26][cH:27][cH:28]1.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]1[CH2:18][CH2:19][C:29](=[O:30])[O:31]1>C1CCOC1.CCCCCC.CCCCCC.CCOC(C)=O.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]1[CH2:18][C@@H:19]([CH2:20][c:21]2[cH:22][c:23]([C:24]#[N:25])[cH:26][cH:27][cH:28]2)[C:29](=[O:30])[O:31]1 CVKOOKPNCVYHNY-UHFFFAOYSA-N.YZDUNYUENNWBRE-KBPBESRZSA-N>>OBPDUXDDWIMIDC-FSSWDIPSSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>Br-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 c34de8b187abb041b2c73bdd7e1f00481957a40f634fe1f6b248ef3c8ecce090 I[CH2:20][c:21]1[cH:22][cH:23][c:24]([O:25][CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34]1.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]1[CH2:18][CH2:19][C:35](=[O:36])[O:37]1>C1CCOC1.CCCCCC.CCOC(C)=O.CN1CCCN(C)C1=O.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]1[CH2:18][C@@H:19]([CH2:20][c:21]2[cH:22][cH:23][c:24]([O:25][CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:33][cH:34]2)[C:35](=[O:36])[O:37]1 JHIMINIXUSBWJG-UHFFFAOYSA-N.YZDUNYUENNWBRE-KBPBESRZSA-N>>IPBIDEGHIZBGPW-PKXQUSJVSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>I-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 f5bc7067092b6644ac6ada7ae64bd9f3439433653a322a4aac7bdf5482a0ec0f Br[CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:23][cH:24]1)[C@@H:25]1[CH2:26][CH2:27][C:35](=[O:36])[O:37]1>C1CCOC1.CN1CCCN(C)C1=O.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:23][cH:24]1)[C@@H:25]1[CH2:26][C@@H:27]([CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[C:35](=[O:36])[O:37]1 AGEZXYOZHKGVCM-UHFFFAOYSA-N.VNWHKFGJRJWZCS-SFTDATJTSA-N>>XFULQKSFJDLVOV-PKXQUSJVSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>Br-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 c34de8b187abb041b2c73bdd7e1f00481957a40f634fe1f6b248ef3c8ecce090 Br[CH2:20][c:21]1[c:22]([F:23])[cH:24][cH:25][cH:26][cH:27]1.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]1[CH2:18][CH2:19][C:28](=[O:29])[O:30]1>C1CCOC1.CCCCCC.CCOC(C)=O.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]1[CH2:18][C@@H:19]([CH2:20][c:21]2[c:22]([F:23])[cH:24][cH:25][cH:26][cH:27]2)[C:28](=[O:29])[O:30]1 FFWQLZFIMNTUCZ-UHFFFAOYSA-N.YZDUNYUENNWBRE-KBPBESRZSA-N>>BETBJTYWECDUJZ-GIVPXCGWSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>Br-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 c34de8b187abb041b2c73bdd7e1f00481957a40f634fe1f6b248ef3c8ecce090 Br[CH2:20][c:21]1[cH:22][c:23]([F:24])[cH:25][cH:26][cH:27]1.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]1[CH2:18][CH2:19][C:28](=[O:29])[O:30]1>C1CCOC1.CCCCCC.CCOC(C)=O.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]1[CH2:18][C@@H:19]([CH2:20][c:21]2[cH:22][c:23]([F:24])[cH:25][cH:26][cH:27]2)[C:28](=[O:29])[O:30]1 SCBZBMXPJYMXRC-UHFFFAOYSA-N.YZDUNYUENNWBRE-KBPBESRZSA-N>>SFRVERRYDDBDJF-GIVPXCGWSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>Br-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 c34de8b187abb041b2c73bdd7e1f00481957a40f634fe1f6b248ef3c8ecce090 Br[CH2:20][c:21]1[c:22]([F:23])[cH:24][c:25]([F:26])[cH:27][cH:28]1.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]1[CH2:18][CH2:19][C:29](=[O:30])[O:31]1>C1CCOC1.CCCCCC.CCOC(C)=O.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]1[CH2:18][C@@H:19]([CH2:20][c:21]2[c:22]([F:23])[cH:24][c:25]([F:26])[cH:27][cH:28]2)[C:29](=[O:30])[O:31]1 IBLMYGXJKQIGSN-UHFFFAOYSA-N.YZDUNYUENNWBRE-KBPBESRZSA-N>>QZQRLDSVDPKMAB-QMMLZNLJSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>Br-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 c34de8b187abb041b2c73bdd7e1f00481957a40f634fe1f6b248ef3c8ecce090 I[CH2:20][c:21]1[cH:22][cH:23][c:24]([O:25][CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34]1.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][CH:11]1[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1)[C@@H:17]1[CH2:18][CH2:19][C:35](=[O:36])[O:37]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][CH:11]1[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1)[C@@H:17]1[CH2:18][C@@H:19]([CH2:20][c:21]2[cH:22][cH:23][c:24]([O:25][CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:33][cH:34]2)[C:35](=[O:36])[O:37]1 JHIMINIXUSBWJG-UHFFFAOYSA-N.UXCILZJYSIVHNB-KBPBESRZSA-N>>WTSVKDUEZJBUDC-PKXQUSJVSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>I-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 f5bc7067092b6644ac6ada7ae64bd9f3439433653a322a4aac7bdf5482a0ec0f CC(=O)O[C@@H:8]1[O:7][C@H:6]([CH2:5][O:4][C:2]([CH3:1])=[O:3])[C@@H:26]([O:27][C:28]([CH3:29])=[O:30])[C@H:21]1[O:22][C:23]([CH3:24])=[O:25].[nH:9]1[c:10]([Cl:11])[n:12][c:13]2[c:14]1[cH:15][c:16]([Cl:17])[c:18]([Cl:19])[cH:20]2>CC#N.CCOC(C)=O.C[Si](C)(C)OS(=O)(=O)C(F)(F)F>[CH3:1][C:2](=[O:3])[O:4][CH2:5][C@H:6]1[O:7][C@@H:8]([n:9]2[c:10]([Cl:11])[n:12][c:13]3[c:14]2[cH:15][c:16]([Cl:17])[c:18]([Cl:19])[cH:20]3)[C@H:21]([O:22][C:23]([CH3:24])=[O:25])[C@@H:26]1[O:27][C:28]([CH3:29])=[O:30] IHNHAHWGVLXCCI-FDYHWXHSSA-N.SUQYOUJCBGMSLV-UHFFFAOYSA-N>>VRCACYZEUBIEGD-QBPKDAKJSA-N 0.0 Unrecognized False stereospecific False [C:6]-[#8:5]-[C:4]-[C:3]1-[#8:2]-[C@@H;D3;+0:1](-[n;H0;D3;+0:19]2:[c:18]:[#7;a:17]:[c:21]:[c:20]:2)-[C:12](-[#8:13]-[C:14](-[C;D1;H3:15])=[O;D1;H0:16])-[C:7]-1-[#8:8]-[C:9](-[C;D1;H3:10])=[O;D1;H0:11]>>C-C(=O)-O-[C@@H;D3;+0:1]1-[#8:2]-[C:3](-[C:4]-[#8:5]-[C:6])-[C:7](-[#8:8]-[C:9](-[C;D1;H3:10])=[O;D1;H0:11])-[C:12]-1-[#8:13]-[C:14](-[C;D1;H3:15])=[O;D1;H0:16].[#7;a:17]1:[c:18]:[nH;D2;+0:19]:[c:20]:[c:21]:1 15a677ab03a61aa825fd580e7685c81deca9b962e1982c643c3297b9baff2068 CC(=O)O[C@@H:8]1[O:7][C@H:6]([CH2:5][O:4][C:2]([CH3:1])=[O:3])[C@@H:26]([O:27][C:28]([CH3:29])=[O:30])[C@H:21]1[O:22][C:23]([CH3:24])=[O:25].[nH:9]1[c:10]([Cl:11])[n:12][c:13]2[c:14]1[cH:15][c:16]([Br:17])[c:18]([Br:19])[cH:20]2>CC#N.CCOC(C)=O.C[Si](C)(C)/N=C(/O[Si](C)(C)C)C(F)(F)F.C[Si](C)(C)OS(=O)(=O)C(F)(F)F>[CH3:1][C:2](=[O:3])[O:4][CH2:5][C@H:6]1[O:7][C@@H:8]([n:9]2[c:10]([Cl:11])[n:12][c:13]3[c:14]2[cH:15][c:16]([Br:17])[c:18]([Br:19])[cH:20]3)[C@H:21]([O:22][C:23]([CH3:24])=[O:25])[C@@H:26]1[O:27][C:28]([CH3:29])=[O:30] IHNHAHWGVLXCCI-FDYHWXHSSA-N.ZKYRZYZWRSJKNP-UHFFFAOYSA-N>>LTGCQNBYXQYNOF-QBPKDAKJSA-N 0.0 Unrecognized False stereospecific False [C:6]-[#8:5]-[C:4]-[C:3]1-[#8:2]-[C@@H;D3;+0:1](-[n;H0;D3;+0:19]2:[c:18]:[#7;a:17]:[c:21]:[c:20]:2)-[C:12](-[#8:13]-[C:14](-[C;D1;H3:15])=[O;D1;H0:16])-[C:7]-1-[#8:8]-[C:9](-[C;D1;H3:10])=[O;D1;H0:11]>>C-C(=O)-O-[C@@H;D3;+0:1]1-[#8:2]-[C:3](-[C:4]-[#8:5]-[C:6])-[C:7](-[#8:8]-[C:9](-[C;D1;H3:10])=[O;D1;H0:11])-[C:12]-1-[#8:13]-[C:14](-[C;D1;H3:15])=[O;D1;H0:16].[#7;a:17]1:[c:18]:[nH;D2;+0:19]:[c:20]:[c:21]:1 15a677ab03a61aa825fd580e7685c81deca9b962e1982c643c3297b9baff2068 CC(=O)O[C@@H:8]1[O:7][C@H:6]([CH2:5][O:4][C:2]([CH3:1])=[O:3])[C@@H:26]([O:27][C:28]([CH3:29])=[O:30])[C@H:21]1[O:22][C:23]([CH3:24])=[O:25].[nH:9]1[c:10]([Cl:11])[n:12][c:13]2[c:14]1[cH:15][c:16]([F:17])[c:18]([F:19])[cH:20]2>C[Si](C)(C)OS(=O)(=O)C(F)(F)F.ClC(Cl)Cl.ClCCCl>[CH3:1][C:2](=[O:3])[O:4][CH2:5][C@H:6]1[O:7][C@@H:8]([n:9]2[c:10]([Cl:11])[n:12][c:13]3[c:14]2[cH:15][c:16]([F:17])[c:18]([F:19])[cH:20]3)[C@H:21]([O:22][C:23]([CH3:24])=[O:25])[C@@H:26]1[O:27][C:28]([CH3:29])=[O:30] IHNHAHWGVLXCCI-FDYHWXHSSA-N.VFELEJMYVUPGEO-UHFFFAOYSA-N>>VUKRJEXHOOPPFI-QBPKDAKJSA-N 0.0 Unrecognized False stereospecific False [C:6]-[#8:5]-[C:4]-[C:3]1-[#8:2]-[C@@H;D3;+0:1](-[n;H0;D3;+0:19]2:[c:18]:[#7;a:17]:[c:21]:[c:20]:2)-[C:12](-[#8:13]-[C:14](-[C;D1;H3:15])=[O;D1;H0:16])-[C:7]-1-[#8:8]-[C:9](-[C;D1;H3:10])=[O;D1;H0:11]>>C-C(=O)-O-[C@@H;D3;+0:1]1-[#8:2]-[C:3](-[C:4]-[#8:5]-[C:6])-[C:7](-[#8:8]-[C:9](-[C;D1;H3:10])=[O;D1;H0:11])-[C:12]-1-[#8:13]-[C:14](-[C;D1;H3:15])=[O;D1;H0:16].[#7;a:17]1:[c:18]:[nH;D2;+0:19]:[c:20]:[c:21]:1 15a677ab03a61aa825fd580e7685c81deca9b962e1982c643c3297b9baff2068 O[C@@H:14]([CH2:13][n:12]1[c:8]2[c:9]([cH:10][cH:11]1)[C:19]([CH3:20])([CH3:21])[c:5]1[cH:4][cH:3][c:2]([CH3:1])[cH:7][c:6]1-2)[CH3:15].[N-:16]=[N+:17]=[N-:18]>CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:7]1)-[c:8]1[c:9]([cH:10][cH:11][n:12]1[CH2:13][C@H:14]([CH3:15])[N:16]=[N+:17]=[N-:18])[C:19]2([CH3:20])[CH3:21] IVRMZWNICZWHMI-UHFFFAOYSA-N.KXWHQJXABGHOQY-GFCCVEGCSA-N>>YUCKODLEFQRACY-LBPRGKRZSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@@H:15]([CH2:14][n:13]1[c:9]2[c:10]([cH:11][cH:12]1)[C:20]([CH3:21])([CH3:22])[c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:8][c:7]1-2)[CH3:16].[N-:17]=[N+:18]=[N-:19]>CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:8]1)-[c:9]1[c:10]([cH:11][cH:12][n:13]1[CH2:14][C@H:15]([CH3:16])[N:17]=[N+:18]=[N-:19])[C:20]2([CH3:21])[CH3:22] IVRMZWNICZWHMI-UHFFFAOYSA-N.YPUMBYXLBKPVIP-LLVKDONJSA-N>>RFTPOHNIZPXQFZ-NSHDSACASA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@@H:14]([CH2:13][n:12]1[c:9]2[c:8]([cH:20][cH:19]1)[CH2:7][c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:11][c:10]1-2)[CH3:15].[N-:16]=[N+:17]=[N-:18]>CCN(CC)CC.CCOCC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:10]([cH:11]1)-[c:9]1[c:8]([cH:20][cH:19][n:12]1[CH2:13][C@H:14]([CH3:15])[N:16]=[N+:17]=[N-:18])[CH2:7]2 IVRMZWNICZWHMI-UHFFFAOYSA-N.LPSBQOYHXXNBGY-SNVBAGLBSA-N>>DWTBJXRFERVXHD-JTQLQIEISA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@H:2]([CH3:1])[CH2:3][n:4]1[cH:5][cH:6][c:7]2[c:8]1-[c:9]1[cH:10][c:11]([Cl:12])[cH:13][cH:14][c:15]1[CH2:16]2.[N-:17]=[N+:18]=[N-:19]>CCN(CC)CC.CCOCC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[CH3:1][C@@H:2]([CH2:3][n:4]1[cH:5][cH:6][c:7]2[c:8]1-[c:9]1[cH:10][c:11]([Cl:12])[cH:13][cH:14][c:15]1[CH2:16]2)[N:17]=[N+:18]=[N-:19] BTGZTVACPWJCEQ-SECBINFHSA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>KAIBBSYHGBDHQR-VIFPVBQESA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@@H:15]([CH2:14][n:13]1[c:12]2[c:11]([cH:21][cH:20]1)[CH2:10][CH2:9][c:6]1[c:5]-2[cH:4][c:3]([O:2][CH3:1])[cH:8][cH:7]1)[CH3:16].[N-:17]=[N+:18]=[N-:19]>CCN(CC)CC.CCOCC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[CH2:9][CH2:10][c:11]1[c:12]-2[n:13]([CH2:14][C@H:15]([CH3:16])[N:17]=[N+:18]=[N-:19])[cH:20][cH:21]1 IVRMZWNICZWHMI-UHFFFAOYSA-N.OIWBLOPNDZCYFU-LLVKDONJSA-N>>RPQDEQVMAFERKI-NSHDSACASA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@H:2]([CH3:1])[CH2:3][n:4]1[cH:5][cH:6][c:7]2[c:8]1-[c:9]1[cH:10][c:11]([F:12])[cH:13][cH:14][c:15]1[CH2:16]2.[N-:17]=[N+:18]=[N-:19]>CCN(CC)CC.CCOCC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[CH3:1][C@@H:2]([CH2:3][n:4]1[cH:5][cH:6][c:7]2[c:8]1-[c:9]1[cH:10][c:11]([F:12])[cH:13][cH:14][c:15]1[CH2:16]2)[N:17]=[N+:18]=[N-:19] AZBOWFWOGAJMSH-SECBINFHSA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>IGUDAISMNPSTAS-VIFPVBQESA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@@H:15]([CH2:14][n:13]1[c:9]2[c:10]([cH:11][cH:12]1)[C:20]([CH3:21])([CH3:22])[c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:8][c:7]1-2)[CH3:16].[N-:17]=[N+:18]=[N-:19]>CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:8]1)-[c:9]1[c:10]([cH:11][cH:12][n:13]1[CH2:14][C@H:15]([CH3:16])[N:17]=[N+:18]=[N-:19])[C:20]2([CH3:21])[CH3:22] IVRMZWNICZWHMI-UHFFFAOYSA-N.NYGKHPLXYUEGEE-GFCCVEGCSA-N>>JEOHYVVRDHRKOI-LBPRGKRZSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@H:2]([CH3:1])[CH2:3][n:4]1[cH:5][cH:6][c:7]2[c:8]1-[c:9]1[cH:10][c:11]([F:12])[cH:13][cH:14][c:15]1[C:16]2([CH3:17])[CH3:18].[N-:19]=[N+:20]=[N-:21]>CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[CH3:1][C@@H:2]([CH2:3][n:4]1[cH:5][cH:6][c:7]2[c:8]1-[c:9]1[cH:10][c:11]([F:12])[cH:13][cH:14][c:15]1[C:16]2([CH3:17])[CH3:18])[N:19]=[N+:20]=[N-:21] DBAHDOBFOZUUKL-SNVBAGLBSA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>MCTUXZZBIUSUPK-JTQLQIEISA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@@H:13]([CH2:12][n:11]1[c:8]2[c:7]([cH:19][cH:18]1)[CH2:6][c:5]1[cH:4][cH:3][c:2]([CH3:1])[cH:10][c:9]1-2)[CH3:14].[N-:15]=[N+:16]=[N-:17]>CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)-[c:8]1[c:7]([cH:19][cH:18][n:11]1[CH2:12][C@H:13]([CH3:14])[N:15]=[N+:16]=[N-:17])[CH2:6]2 IVRMZWNICZWHMI-UHFFFAOYSA-N.JSBDSLCYNUITTL-LLVKDONJSA-N>>KGBQHJOMPBGGCF-NSHDSACASA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@H:2]([CH3:1])[CH2:3][n:4]1[cH:5][cH:6][c:7]2[c:8]1-[c:9]1[cH:10][c:11]([Br:12])[cH:13][cH:14][c:15]1[CH2:16]2.[N-:17]=[N+:18]=[N-:19]>CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[CH3:1][C@@H:2]([CH2:3][n:4]1[cH:5][cH:6][c:7]2[c:8]1-[c:9]1[cH:10][c:11]([Br:12])[cH:13][cH:14][c:15]1[CH2:16]2)[N:17]=[N+:18]=[N-:19] GPSYULAFBMFBJJ-SECBINFHSA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>JXAJOMHSAUAXMN-VIFPVBQESA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@@H:20]([CH2:19][n:18]1[c:14]2[c:15]([cH:16][cH:17]1)[C:3]([CH2:2][CH3:1])([CH2:4][CH3:5])[c:6]1[cH:7][cH:8][c:9]([O:10][CH3:11])[cH:12][c:13]1-2)[CH3:21].[N-:22]=[N+:23]=[N-:24]>CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[CH3:1][CH2:2][C:3]1([CH2:4][CH3:5])[c:6]2[cH:7][cH:8][c:9]([O:10][CH3:11])[cH:12][c:13]2-[c:14]2[c:15]1[cH:16][cH:17][n:18]2[CH2:19][C@H:20]([CH3:21])[N:22]=[N+:23]=[N-:24] GIASJJMAFCEIIP-CYBMUJFWSA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>NVJFGTDVHWKILW-ZDUSSCGKSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@H:2]([CH3:1])[CH2:3][n:4]1[cH:5][cH:6][c:7]2[c:8]1-[c:9]1[cH:10][cH:11][c:12]([F:13])[cH:14][c:15]1[CH2:16]2.[N-:17]=[N+:18]=[N-:19]>CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[CH3:1][C@@H:2]([CH2:3][n:4]1[cH:5][cH:6][c:7]2[c:8]1-[c:9]1[cH:10][cH:11][c:12]([F:13])[cH:14][c:15]1[CH2:16]2)[N:17]=[N+:18]=[N-:19] IVRMZWNICZWHMI-UHFFFAOYSA-N.MEKHYSOWYBWOBL-SECBINFHSA-N>>SAGDCYWUCVSRBX-VIFPVBQESA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@H:2]([CH3:1])[CH2:3][n:4]1[cH:5][cH:6][c:7]2[c:8]1-[c:9]1[cH:10][c:11](-[c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[cH:18][cH:19][c:20]1[CH2:21]2.[N-:22]=[N+:23]=[N-:24]>CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[CH3:1][C@@H:2]([CH2:3][n:4]1[cH:5][cH:6][c:7]2[c:8]1-[c:9]1[cH:10][c:11](-[c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[cH:18][cH:19][c:20]1[CH2:21]2)[N:22]=[N+:23]=[N-:24] BIHHJQSBHWXNTN-CQSZACIVSA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>QULDUBFJWRDZPV-AWEZNQCLSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@@H:15]([CH2:14][n:13]1[c:10]2[c:9]([cH:21][cH:20]1)[CH2:8][c:7]1[cH:6][cH:5][c:4]([O:3][CH2:2][CH3:1])[cH:12][c:11]1-2)[CH3:16].[N-:17]=[N+:18]=[N-:19]>CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[CH3:1][CH2:2][O:3][c:4]1[cH:5][cH:6][c:7]2[c:11]([cH:12]1)-[c:10]1[c:9]([cH:21][cH:20][n:13]1[CH2:14][C@H:15]([CH3:16])[N:17]=[N+:18]=[N-:19])[CH2:8]2 IVRMZWNICZWHMI-UHFFFAOYSA-N.XDNUGSOUFWLZDS-LLVKDONJSA-N>>BVLKYXMXXCGSDV-NSHDSACASA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@@H:14]([CH2:13][n:12]1[c:9]2[c:8]([cH:20][cH:19]1)[CH2:7][c:6]1[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:11][c:10]1-2)[CH3:15].[N-:16]=[N+:17]=[N-:18]>CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]2[c:10]([cH:11]1)-[c:9]1[c:8]([cH:20][cH:19][n:12]1[CH2:13][C@H:14]([CH3:15])[N:16]=[N+:17]=[N-:18])[CH2:7]2 IVRMZWNICZWHMI-UHFFFAOYSA-N.RJAULYBQSBYWPT-LLVKDONJSA-N>>QPTAYGFRPPBKFM-NSHDSACASA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@H:2]([CH3:1])[CH2:3][n:4]1[cH:5][cH:6][c:7]2[c:8]1-[c:9]1[cH:10][c:11]([F:12])[c:13]([F:14])[cH:15][c:16]1[CH2:17]2.[N-:18]=[N+:19]=[N-:20]>CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[CH3:1][C@@H:2]([CH2:3][n:4]1[cH:5][cH:6][c:7]2[c:8]1-[c:9]1[cH:10][c:11]([F:12])[c:13]([F:14])[cH:15][c:16]1[CH2:17]2)[N:18]=[N+:19]=[N-:20] IVRMZWNICZWHMI-UHFFFAOYSA-N.LNPFAEGRLWGSIO-MRVPVSSYSA-N>>OPSIHAGTLPEOFY-QMMMGPOBSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@@H:16]([CH2:15][n:14]1[c:10]2[c:11]([cH:12][cH:13]1)[C:21]([CH3:22])([CH3:23])[c:7]1[cH:6][c:4]([Cl:5])[c:3]([O:2][CH3:1])[cH:9][c:8]1-2)[CH3:17].[N-:18]=[N+:19]=[N-:20]>CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[CH3:1][O:2][c:3]1[c:4]([Cl:5])[cH:6][c:7]2[c:8]([cH:9]1)-[c:10]1[c:11]([cH:12][cH:13][n:14]1[CH2:15][C@H:16]([CH3:17])[N:18]=[N+:19]=[N-:20])[C:21]2([CH3:22])[CH3:23] DHODWYWSIDWEDO-SNVBAGLBSA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>ODZWPQVWSLJTTE-JTQLQIEISA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@@H:2]([CH3:1])[CH2:3][n:4]1[cH:5][cH:6][c:7]2[c:8]1-[c:9]1[cH:10][c:11]([F:12])[cH:13][cH:14][c:15]1[CH2:16]2.[N-:17]=[N+:18]=[N-:19]>CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[CH3:1][C@H:2]([CH2:3][n:4]1[cH:5][cH:6][c:7]2[c:8]1-[c:9]1[cH:10][c:11]([F:12])[cH:13][cH:14][c:15]1[CH2:16]2)[N:17]=[N+:18]=[N-:19] AZBOWFWOGAJMSH-VIFPVBQESA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>IGUDAISMNPSTAS-SECBINFHSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 9128891bb9417aaeeffb60ae1360f160db9769bc59ca497e3cb357823fcb8ac8 O[C@H:14]([CH2:13][n:12]1[c:9]2[c:8]([cH:20][cH:19]1)[CH2:7][c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:11][c:10]1-2)[CH3:15].[N-:16]=[N+:17]=[N-:18]>CCN(CC)CC.CCOCC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:10]([cH:11]1)-[c:9]1[c:8]([cH:20][cH:19][n:12]1[CH2:13][C@@H:14]([CH3:15])[N:16]=[N+:17]=[N-:18])[CH2:7]2 IVRMZWNICZWHMI-UHFFFAOYSA-N.LPSBQOYHXXNBGY-JTQLQIEISA-N>>DWTBJXRFERVXHD-SNVBAGLBSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 9128891bb9417aaeeffb60ae1360f160db9769bc59ca497e3cb357823fcb8ac8 O[C@@H:2]([CH3:1])[CH2:3][n:4]1[cH:5][cH:6][c:7]2[c:8]1-[c:9]1[cH:10][c:11]([Cl:12])[cH:13][cH:14][c:15]1[CH2:16]2.[N-:17]=[N+:18]=[N-:19]>CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[CH3:1][C@H:2]([CH2:3][n:4]1[cH:5][cH:6][c:7]2[c:8]1-[c:9]1[cH:10][c:11]([Cl:12])[cH:13][cH:14][c:15]1[CH2:16]2)[N:17]=[N+:18]=[N-:19] BTGZTVACPWJCEQ-VIFPVBQESA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>KAIBBSYHGBDHQR-SECBINFHSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 9128891bb9417aaeeffb60ae1360f160db9769bc59ca497e3cb357823fcb8ac8 O[C@@H:14]([CH2:13][n:12]1[c:9]2[c:8]([c:21]([CH3:22])[c:19]1[CH3:20])[CH2:7][c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:11][c:10]1-2)[CH3:15].[N-:16]=[N+:17]=[N-:18]>CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:10]([cH:11]1)-[c:9]1[c:8]([c:21]([CH3:22])[c:19]([CH3:20])[n:12]1[CH2:13][C@H:14]([CH3:15])[N:16]=[N+:17]=[N-:18])[CH2:7]2 ICEBDOAEMYVMFH-SNVBAGLBSA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>KKAVNGARLXMWSQ-JTQLQIEISA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@@H:14]([CH2:13][n:12]1[c:9]2[c:8]([cH:21][c:19]1[CH3:20])[CH2:7][c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:11][c:10]1-2)[CH3:15].[N-:16]=[N+:17]=[N-:18]>CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:10]([cH:11]1)-[c:9]1[c:8]([cH:21][c:19]([CH3:20])[n:12]1[CH2:13][C@H:14]([CH3:15])[N:16]=[N+:17]=[N-:18])[CH2:7]2 HSPWONTUTGSTRZ-LLVKDONJSA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>LCOAXKNMXXEUHC-JTQLQIEISA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@@H:15]([CH2:14][n:13]1[c:10]2[c:9]([cH:21][cH:20]1)[CH2:8][c:7]1[cH:6][cH:5][c:4]([CH:2]([CH3:1])[CH3:3])[cH:12][c:11]1-2)[CH3:16].[N-:17]=[N+:18]=[N-:19]>CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[CH3:1][CH:2]([CH3:3])[c:4]1[cH:5][cH:6][c:7]2[c:11]([cH:12]1)-[c:10]1[c:9]([cH:21][cH:20][n:13]1[CH2:14][C@H:15]([CH3:16])[N:17]=[N+:18]=[N-:19])[CH2:8]2 HBNXRDDUGBMISH-GFCCVEGCSA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>YCBRSBHVDGINEJ-LBPRGKRZSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@H:2]([CH3:1])[CH2:3][n:4]1[cH:5][cH:6][c:7]2[c:8]1-[c:9]1[cH:10][c:11]([C:12]([CH3:13])([CH3:14])[CH3:15])[cH:16][cH:17][c:18]1[CH2:19]2.[N-:20]=[N+:21]=[N-:22]>CCN(CC)CC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[CH3:1][C@@H:2]([CH2:3][n:4]1[cH:5][cH:6][c:7]2[c:8]1-[c:9]1[cH:10][c:11]([C:12]([CH3:13])([CH3:14])[CH3:15])[cH:16][cH:17][c:18]1[CH2:19]2)[N:20]=[N+:21]=[N-:22] IVRMZWNICZWHMI-UHFFFAOYSA-N.ZGCDRGAOUPHFIL-GFCCVEGCSA-N>>SURNFNZNTHKMQU-LBPRGKRZSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@H:2]([CH3:1])[CH2:3][n:4]1[cH:5][cH:6][c:7]2[c:8]1-[c:9]1[c:10]([cH:11][cH:12][cH:13][cH:14]1)[O:15][CH2:16]2.[N-:17]=[N+:18]=[N-:19]>CCN(CC)CC.CCOCC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[CH3:1][C@@H:2]([CH2:3][n:4]1[cH:5][cH:6][c:7]2[c:8]1-[c:9]1[c:10]([cH:11][cH:12][cH:13][cH:14]1)[O:15][CH2:16]2)[N:17]=[N+:18]=[N-:19] IVRMZWNICZWHMI-UHFFFAOYSA-N.WSWRTTSMTZJKOJ-SNVBAGLBSA-N>>GBZRHTVQPVSCAL-JTQLQIEISA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@@H:2]([CH3:1])[CH2:3][n:4]1[cH:5][cH:6][c:7]2[c:8]1-[c:9]1[c:10]([cH:11][cH:12][cH:13][cH:14]1)[O:15][CH2:16]2.[N-:17]=[N+:18]=[N-:19]>CCN(CC)CC.CCOCC.CN(C)C=O.CS(=O)(=O)Cl.ClCCl.O.[Na+]>[CH3:1][C@H:2]([CH2:3][n:4]1[cH:5][cH:6][c:7]2[c:8]1-[c:9]1[c:10]([cH:11][cH:12][cH:13][cH:14]1)[O:15][CH2:16]2)[N:17]=[N+:18]=[N-:19] IVRMZWNICZWHMI-UHFFFAOYSA-N.WSWRTTSMTZJKOJ-JTQLQIEISA-N>>GBZRHTVQPVSCAL-SNVBAGLBSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 9128891bb9417aaeeffb60ae1360f160db9769bc59ca497e3cb357823fcb8ac8 Br[Mg][CH2:2][CH3:1].[C:3]([CH3:4])(=[O:5])[C@H:6]1[CH2:7][CH2:8][C@H:9]2[C@@H:10]3[C@@H:11]([CH3:12])[CH2:13][C@H:14]4[NH:15][C:16](=[O:17])[CH:18]=[CH:19][C@:20]4([CH3:21])[C@H:22]3[CH2:23][CH2:24][C@:25]12[CH3:26]>C1CCOC1.CCOCC.Cl.N>[CH3:1][CH2:2][C@:3]([CH3:4])([OH:5])[C@H:6]1[CH2:7][CH2:8][C@H:9]2[C@@H:10]3[C@@H:11]([CH3:12])[CH2:13][C@H:14]4[NH:15][C:16](=[O:17])[CH:18]=[CH:19][C@:20]4([CH3:21])[C@H:22]3[CH2:23][CH2:24][C@:25]12[CH3:26] NRXNMAORHGOQGS-OIMLCLNSSA-N.TWTWFMUQSOFTRN-UHFFFAOYSA-M>>YKLNQHAINFMSLK-MPOGTKMKSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@@;H0;D4;+0:4](-[C;D1;H3:5])(-[OH;D1;+0:6])-[CH2;D2;+0:1]-[C;D1;H3:2]>>Br-[Mg]-[CH2;D2;+0:1]-[C;D1;H3:2].[C:3]-[C;H0;D3;+0:4](-[C;D1;H3:5])=[O;H0;D1;+0:6] 3f325f105fe9dfc88d1824467a59179d833683f512ab7f0e7e2eb7e9d0c88218 I[CH2:7][c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:31][cH:30]1.[CH2:8]1[CH2:9][C@@H:10]([C@H:11]([CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[O:27][C:28]1=[O:29]>C1CCOC1.CC(C)OC(C)C.CCCCCC.CCOC(C)=O.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][C@@H:8]2[CH2:9][C@@H:10]([C@H:11]([CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[O:27][C:28]2=[O:29])[cH:30][cH:31]1 DZOJRAXIUZWNIN-UHFFFAOYSA-N.YZDUNYUENNWBRE-KBPBESRZSA-N>>SEYFVNSPFUZXJK-HJNYFJLDSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>I-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 f5bc7067092b6644ac6ada7ae64bd9f3439433653a322a4aac7bdf5482a0ec0f Br[CH2:20][c:21]1[cH:22][cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28]1.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]1[CH2:18][CH2:19][C:29](=[O:30])[O:31]1>C1CCOC1.CCCCCC.CCOC(C)=O.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]1[CH2:18][C@@H:19]([CH2:20][c:21]2[cH:22][cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28]2)[C:29](=[O:30])[O:31]1 UMLFTCYAQPPZER-UHFFFAOYSA-N.YZDUNYUENNWBRE-KBPBESRZSA-N>>IHIRNJNWCXOMLF-FSSWDIPSSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>Br-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 c34de8b187abb041b2c73bdd7e1f00481957a40f634fe1f6b248ef3c8ecce090 Br[CH2:20][c:21]1[cH:22][cH:23][c:24]([CH2:25][CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34]1.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]1[CH2:18][CH2:19][C:35](=[O:36])[O:37]1>C1CCOC1.CCC(=O)O.CCOC(C)=O.CN1CCCN(C)C1=O.C[Si](C)(C)N[Si](C)(C)C.O.[Li+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]1[CH2:18][C@@H:19]([CH2:20][c:21]2[cH:22][cH:23][c:24]([CH2:25][CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[cH:33][cH:34]2)[C:35](=[O:36])[O:37]1 LZKFTZRPXFQLHC-UHFFFAOYSA-N.YZDUNYUENNWBRE-KBPBESRZSA-N>>RIIHSKXNDBKDFT-ULNSLHSMSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>Br-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 c34de8b187abb041b2c73bdd7e1f00481957a40f634fe1f6b248ef3c8ecce090 Br[CH2:20][c:21]1[cH:22][cH:23][c:24]([S:25](=[O:26])(=[O:27])[CH2:28][c:29]2[c:30]([Cl:31])[cH:32][cH:33][cH:34][c:35]2[Cl:36])[cH:37][cH:38]1.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]1[CH2:18][CH2:19][C:39](=[O:40])[O:41]1>C1CCOC1.CCC(=O)O.CCCCCC.CCOC(C)=O.CN1CCCN(C)C1=O.C[Si](C)(C)N[Si](C)(C)C.O.[Li+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]1[CH2:18][C@@H:19]([CH2:20][c:21]2[cH:22][cH:23][c:24]([S:25](=[O:26])(=[O:27])[CH2:28][c:29]3[c:30]([Cl:31])[cH:32][cH:33][cH:34][c:35]3[Cl:36])[cH:37][cH:38]2)[C:39](=[O:40])[O:41]1 SDEBGKLYRKDTFV-UHFFFAOYSA-N.YZDUNYUENNWBRE-KBPBESRZSA-N>>MXSABINSJPJGPW-WWEDSPNTSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>Br-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 c34de8b187abb041b2c73bdd7e1f00481957a40f634fe1f6b248ef3c8ecce090 I[CH2:7][c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:39][cH:38]1.[CH2:8]1[CH2:9][C@@H:10]([C@H:11]([CH2:12][c:13]2[cH:14][cH:15][c:16]([O:17][CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:25][cH:26]2)[NH:27][C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[O:35][C:36]1=[O:37]>C1CCOC1.CCC(=O)O.CCCCCC.CCOC(C)=O.CN1CCCN(C)C1=O.C[Si](C)(C)N[Si](C)(C)C.O.[Li+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][C@@H:8]2[CH2:9][C@@H:10]([C@H:11]([CH2:12][c:13]3[cH:14][cH:15][c:16]([O:17][CH2:18][c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[cH:25][cH:26]3)[NH:27][C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[O:35][C:36]2=[O:37])[cH:38][cH:39]1 DZOJRAXIUZWNIN-UHFFFAOYSA-N.VNWHKFGJRJWZCS-SFTDATJTSA-N>>MLQSCUAHVODMEN-IGBKUBFESA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>I-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 f5bc7067092b6644ac6ada7ae64bd9f3439433653a322a4aac7bdf5482a0ec0f Br[CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][C@H:8]([NH:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[C@@H:17]2[CH2:18][CH2:19][C:27](=[O:28])[O:29]2)[cH:30][cH:31]1>C1CCOC1.CN1CCCN(C)C1=O.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][C@H:8]([NH:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[C@@H:17]2[CH2:18][C@@H:19]([CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[C:27](=[O:28])[O:29]2)[cH:30][cH:31]1 AGEZXYOZHKGVCM-UHFFFAOYSA-N.BXLJOSYOINPTQU-GJZGRUSLSA-N>>AZLCJNUFIKSDCV-HJNYFJLDSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>Br-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 c34de8b187abb041b2c73bdd7e1f00481957a40f634fe1f6b248ef3c8ecce090 I[CH2:7][c:6]1[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:31][cH:30]1.[CH2:8]1[CH2:9][C@@H:10]([C@H:11]([CH2:12][CH:13]2[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[O:27][C:28]1=[O:29]>C1CCOC1.CCC(=O)O.CCOC(C)=O.CN1CCCN(C)C1=O.C[Si](C)(C)N[Si](C)(C)C.O.O=C(O)O.[Li+].[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][C@@H:8]2[CH2:9][C@@H:10]([C@H:11]([CH2:12][CH:13]3[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]3)[NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[O:27][C:28]2=[O:29])[cH:30][cH:31]1 DZOJRAXIUZWNIN-UHFFFAOYSA-N.UXCILZJYSIVHNB-KBPBESRZSA-N>>MPVBVVGXGBKOSB-HJNYFJLDSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>I-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 f5bc7067092b6644ac6ada7ae64bd9f3439433653a322a4aac7bdf5482a0ec0f I[CH2:20][c:21]1[cH:22][c:23]2[c:24]([cH:25][cH:26]1)[O:27][CH2:28][O:29]2.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]1[CH2:18][CH2:19][C:30](=[O:31])[O:32]1>C1CCOC1.CCC(=O)O.CCOC(C)=O.CN1CCCN(C)C1=O.C[Si](C)(C)N[Si](C)(C)C.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Li+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]1[CH2:18][C@@H:19]([CH2:20][c:21]2[cH:22][c:23]3[c:24]([cH:25][cH:26]2)[O:27][CH2:28][O:29]3)[C:30](=[O:31])[O:32]1 WDXDADIIMNGABI-UHFFFAOYSA-N.YZDUNYUENNWBRE-KBPBESRZSA-N>>MHWWNPGLSKXVPI-DYXWJJEUSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>I-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 f5bc7067092b6644ac6ada7ae64bd9f3439433653a322a4aac7bdf5482a0ec0f I[CH2:9][c:8]1[cH:7][c:4]([O:5][CH3:6])[c:3]([O:2][CH3:1])[cH:33][cH:32]1.[CH2:10]1[CH2:11][C@@H:12]([C@H:13]([CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[O:29][C:30]1=[O:31]>C1CCOC1.CN1CCCN(C)C1=O.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][O:2][c:3]1[c:4]([O:5][CH3:6])[cH:7][c:8]([CH2:9][C@@H:10]2[CH2:11][C@@H:12]([C@H:13]([CH2:14][c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[O:29][C:30]2=[O:31])[cH:32][cH:33]1 HMZMWOTUXBSUTC-UHFFFAOYSA-N.YZDUNYUENNWBRE-KBPBESRZSA-N>>IKAJIDPTQCNSIX-URVUXULASA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>I-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 f5bc7067092b6644ac6ada7ae64bd9f3439433653a322a4aac7bdf5482a0ec0f I[CH2:6][c:5]1[cH:4][c:3]([O:2][CH3:1])[c:33]([O:34][CH3:35])[c:30]([O:31][CH3:32])[cH:29]1.[CH2:7]1[CH2:8][C@@H:9]([C@H:10]([CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[NH:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[O:26][C:27]1=[O:28]>C1CCOC1.CN1CCCN(C)C1=O.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:6][C@@H:7]2[CH2:8][C@@H:9]([C@H:10]([CH2:11][c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[NH:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[O:26][C:27]2=[O:28])[cH:29][c:30]([O:31][CH3:32])[c:33]1[O:34][CH3:35] MRBLMQBDPAINQJ-UHFFFAOYSA-N.YZDUNYUENNWBRE-KBPBESRZSA-N>>LMSGVWDTEJGXEC-HKBOAZHASA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>I-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 f5bc7067092b6644ac6ada7ae64bd9f3439433653a322a4aac7bdf5482a0ec0f Br[CH2:9][c:8]1[c:5]([O:6][CH3:7])[cH:4][c:3]([O:2][CH3:1])[cH:33][cH:32]1.[CH2:10]1[CH2:11][C@@H:12]([C@H:13]([CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[O:29][C:30]1=[O:31]>C1CCOC1.CCC(=O)O.CCOC(C)=O.CN1CCCN(C)C1=O.C[Si](C)(C)N[Si](C)(C)C.Cc1ccccc1.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Li+]>[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[c:8]([CH2:9][C@@H:10]2[CH2:11][C@@H:12]([C@H:13]([CH2:14][c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[O:29][C:30]2=[O:31])[cH:32][cH:33]1 WZCFNCRZGRZNRV-UHFFFAOYSA-N.YZDUNYUENNWBRE-KBPBESRZSA-N>>UFWLNDUPCQZHIE-NWSQWKLXSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>Br-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 c34de8b187abb041b2c73bdd7e1f00481957a40f634fe1f6b248ef3c8ecce090 I[CH2:5][c:4]1[c:3]([O:2][CH3:1])[cH:31][cH:30][cH:29][cH:28]1.[CH2:6]1[CH2:7][C@@H:8]([C@H:9]([CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[NH:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[O:25][C:26]1=[O:27]>C1CCOC1.CCC(=O)O.CCOC(C)=O.CN1CCCN(C)C1=O.C[Si](C)(C)N[Si](C)(C)C.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Li+]>[CH3:1][O:2][c:3]1[c:4]([CH2:5][C@@H:6]2[CH2:7][C@@H:8]([C@H:9]([CH2:10][c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[NH:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[O:25][C:26]2=[O:27])[cH:28][cH:29][cH:30][cH:31]1 WUBIORLAMPVGFJ-UHFFFAOYSA-N.YZDUNYUENNWBRE-KBPBESRZSA-N>>FANNWQVOEGQBGJ-URVUXULASA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>I-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 f5bc7067092b6644ac6ada7ae64bd9f3439433653a322a4aac7bdf5482a0ec0f I[CH2:9][c:8]1[c:6]([CH3:7])[c:4]([CH3:5])[c:3]([O:2][CH3:1])[cH:33][cH:32]1.[CH2:10]1[CH2:11][C@@H:12]([C@H:13]([CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[O:29][C:30]1=[O:31]>C1CCOC1.CCC(=O)O.CCOC(C)=O.CN1CCCN(C)C1=O.C[Si](C)(C)N[Si](C)(C)C.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Li+]>[CH3:1][O:2][c:3]1[c:4]([CH3:5])[c:6]([CH3:7])[c:8]([CH2:9][C@@H:10]2[CH2:11][C@@H:12]([C@H:13]([CH2:14][c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[O:29][C:30]2=[O:31])[cH:32][cH:33]1 JOLREAUNVNDLQT-UHFFFAOYSA-N.YZDUNYUENNWBRE-KBPBESRZSA-N>>UYIBYHOOZXAIQI-GPXNEJASSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>I-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 f5bc7067092b6644ac6ada7ae64bd9f3439433653a322a4aac7bdf5482a0ec0f I[CH2:11][c:10]1[c:7]([O:8][CH3:9])[c:4]([O:5][CH3:6])[c:3]([O:2][CH3:1])[cH:35][cH:34]1.[CH2:12]1[CH2:13][C@@H:14]([C@H:15]([CH2:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[NH:23][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[O:31][C:32]1=[O:33]>C1CCOC1.CCC(=O)O.CCOC(C)=O.CN1CCCN(C)C1=O.C[Si](C)(C)N[Si](C)(C)C.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Li+]>[CH3:1][O:2][c:3]1[c:4]([O:5][CH3:6])[c:7]([O:8][CH3:9])[c:10]([CH2:11][C@@H:12]2[CH2:13][C@@H:14]([C@H:15]([CH2:16][CH:17]3[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]3)[NH:23][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[O:31][C:32]2=[O:33])[cH:34][cH:35]1 GSUDDMKSKQVBCT-UHFFFAOYSA-N.UXCILZJYSIVHNB-KBPBESRZSA-N>>RHIKIQSUBDLIQH-URVUXULASA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>I-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 f5bc7067092b6644ac6ada7ae64bd9f3439433653a322a4aac7bdf5482a0ec0f I[CH2:23][c:24]1[cH:25][cH:26][c:27]([O:28][CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:36][cH:37]1.[CH3:1][O:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([CH2:10][C@H:11]([NH:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[C@@H:20]2[CH2:21][CH2:22][C:38](=[O:39])[O:40]2)[cH:41][cH:42]1>C1CCOC1.CCC(=O)O.CCOC(C)=O.CN1CCCN(C)C1=O.C[Si](C)(C)N[Si](C)(C)C.O.[Li+]>[CH3:1][O:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([CH2:10][C@H:11]([NH:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[C@@H:20]2[CH2:21][C@@H:22]([CH2:23][c:24]3[cH:25][cH:26][c:27]([O:28][CH2:29][c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[cH:36][cH:37]3)[C:38](=[O:39])[O:40]2)[cH:41][cH:42]1 JHIMINIXUSBWJG-UHFFFAOYSA-N.PJBHRYNPRDEWKN-IRXDYDNUSA-N>>KSKAGWVBSJYDGX-RDAHNBDFSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>I-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 f5bc7067092b6644ac6ada7ae64bd9f3439433653a322a4aac7bdf5482a0ec0f [CH3:1][C:2](=[O:3])[CH2:4][c:5]1[cH:6][c:7]2[c:8]([cH:9][cH:10]1)[O:11][CH2:12][O:13]2>O.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=P(O)(O)O.O=P(O)(O)O.[Na+].[Na+]>[CH3:1][C@H:2]([OH:3])[CH2:4][c:5]1[cH:6][c:7]2[c:8]([cH:9][cH:10]1)[O:11][CH2:12][O:13]2 XIYKRJLTYKUWAM-UHFFFAOYSA-N>>RVMKZYKJYMJYDG-ZETCQYMHSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[C;D1;H3:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 Br[CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[CH3:1][CH:2]([CH3:3])[C@H:4]1[CH2:5][O:6][C:7](=[O:8])[N:9]1[C:10](=[O:11])[CH2:12][CH3:13]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Li]>[CH3:1][CH:2]([CH3:3])[C@H:4]1[CH2:5][O:6][C:7](=[O:8])[N:9]1[C:10](=[O:11])[C@H:12]([CH3:13])[CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1 AGEZXYOZHKGVCM-UHFFFAOYSA-N.HOWPHXVPNNPSAZ-SSDOTTSWSA-N>>RUHWKXREZPLCRW-TZMCWYRMSA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4](=[O;D1;H0:5])-[C@H;D3;+0:6](-[C;D1;H3:7])-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]-[C:4](=[O;D1;H0:5])-[CH2;D2;+0:6]-[C;D1;H3:7] f717a6f7d6abee5c7b03fb4673a3b91b5ec7e0735b8ea8d36594621e43988384 Br[C@H:5]([CH2:6][CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1)[C:13](=[O:14])[OH:15].[CH3:1][C:2]([OH:3])=[S:4]>C1CCC(NC2CCCCC2)CC1.CC#N.CCOCC.[K+]>[CH3:1][C:2](=[O:3])[S:4][C@@H:5]([CH2:6][CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1)[C:13](=[O:14])[OH:15] DUYAAUVXQSMXQP-UHFFFAOYSA-N.ZNLYQQHXHRSBBY-MRVPVSSYSA-N>>JMIOCMGVQBVERN-JTQLQIEISA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[S;H0;D2;+0:9]-[C;H0;D3;+0:7](-[C;D1;H3:6])=[O;H0;D1;+0:8])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>Br-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[C;D1;H3:6]-[C;H0;D3;+0:7](-[OH;D1;+0:8])=[S;H0;D1;+0:9] b462146b3f54be48bea64b24df7a464a41691c7466701d7e5454db696e32cb86 [CH3:1][C:2](=[O:3])[CH2:4][c:5]1[cH:6][c:7]2[c:8]([cH:9][cH:10]1)[O:11][CH2:12][O:13]2>O.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=P(O)(O)O.O=P(O)(O)O.[Na+].[Na+]>[CH3:1][C@H:2]([OH:3])[CH2:4][c:5]1[cH:6][c:7]2[c:8]([cH:9][cH:10]1)[O:11][CH2:12][O:13]2 XIYKRJLTYKUWAM-UHFFFAOYSA-N>>RVMKZYKJYMJYDG-ZETCQYMHSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[C;D1;H3:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][O:2][C:3](=[O:4])[CH2:5][C@H:6]([OH:7])[CH2:8][C:9](=[O:10])/[CH:11]=[CH:12]/[c:13]1[c:14]([Cl:15])[cH:16][c:17]([Cl:18])[cH:19][cH:20]1>CCB(CC)OC.B.[Na+]>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@H:6]([OH:7])[CH2:8][C@H:9]([OH:10])/[CH:11]=[CH:12]/[c:13]1[c:14]([Cl:15])[cH:16][c:17]([Cl:18])[cH:19][cH:20]1 WMDIEYXMDKGTSP-OGOUPESXSA-N>>AXAHUFIYBWUQSB-WEPHUFDCSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])/[C:4]=[C:5]/[c:6]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])/[C:4]=[C:5]/[c:6] 2a6d37e8e70e3ae63d2044c611452a7e2069609921f230c421d25cc7008db924 O=S(=O)(O[C@@H:2]([CH3:1])[C:3](=[O:4])[c:5]1[c:6]([F:7])[cH:8][c:9]([F:10])[cH:11][cH:12]1)C(F)(F)F.[nH:13]1[cH:14][cH:15][n:16](-[c:17]2[cH:18][cH:19][c:20]([O:21][CH2:22][C:23]([F:24])([F:25])[CH:26]([F:27])[F:28])[cH:29][cH:30]2)[c:31]1=[O:32]>C1CCOC1.CC(=O)O.CCOC(C)=O.CN1CCCC1=O.[HH].[Na+]>[CH3:1][C@H:2]([C:3](=[O:4])[c:5]1[c:6]([F:7])[cH:8][c:9]([F:10])[cH:11][cH:12]1)[n:13]1[cH:14][cH:15][n:16](-[c:17]2[cH:18][cH:19][c:20]([O:21][CH2:22][C:23]([F:24])([F:25])[CH:26]([F:27])[F:28])[cH:29][cH:30]2)[c:31]1=[O:32] AZYAZXCZGOUZPT-UHFFFAOYSA-N.BPPWIBUIVFTMMB-YFKPBYRVSA-N>>ZWFKMSQBVRYMPK-GFCCVEGCSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]=[O;D1;H0:4])-[n;H0;D3;+0:8]1:[c:7]:[c:6]:[#7;a:5]:[c:9]:1>>F-C(-F)(-F)-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]=[O;D1;H0:4].[#7;a:5]1:[c:6]:[c:7]:[nH;D2;+0:8]:[c:9]:1 4cdfb5055568c54d4529a7df3fed70d2d2c7abcc10ad50ae465e444efd9ee8e2 O=S(=O)(O[C@@H:2]([CH3:1])[C:3](=[O:4])[c:5]1[c:6]([F:7])[cH:8][c:9]([F:10])[cH:11][cH:12]1)C(F)(F)F.[nH:13]1[cH:14][cH:15][n:16](-[c:17]2[cH:18][cH:19][c:20]([O:21][C:22]([F:23])([F:24])[CH:25]([F:26])[F:27])[cH:28][cH:29]2)[c:30]1=[O:31]>C1CCOC1.CC(=O)O.CCOC(C)=O.CN1CCCC1=O.[HH].[Na+]>[CH3:1][C@H:2]([C:3](=[O:4])[c:5]1[c:6]([F:7])[cH:8][c:9]([F:10])[cH:11][cH:12]1)[n:13]1[cH:14][cH:15][n:16](-[c:17]2[cH:18][cH:19][c:20]([O:21][C:22]([F:23])([F:24])[CH:25]([F:26])[F:27])[cH:28][cH:29]2)[c:30]1=[O:31] BPPWIBUIVFTMMB-YFKPBYRVSA-N.NIDYSXPMZBBACE-UHFFFAOYSA-N>>TTWHPPHCSZTXPG-LLVKDONJSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]=[O;D1;H0:4])-[n;H0;D3;+0:8]1:[c:7]:[c:6]:[#7;a:5]:[c:9]:1>>F-C(-F)(-F)-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]=[O;D1;H0:4].[#7;a:5]1:[c:6]:[c:7]:[nH;D2;+0:8]:[c:9]:1 4cdfb5055568c54d4529a7df3fed70d2d2c7abcc10ad50ae465e444efd9ee8e2 O=S(=O)(O[C@@H:2]([CH3:1])[C:3](=[O:4])[c:5]1[c:6]([F:7])[cH:8][cH:9][cH:10][cH:11]1)C(F)(F)F.[nH:12]1[cH:13][cH:14][n:15](-[c:16]2[cH:17][cH:18][c:19]([O:20][CH2:21][C:22]([F:23])([F:24])[CH:25]([F:26])[F:27])[cH:28][cH:29]2)[c:30]1=[O:31]>C1CCOC1.CC(=O)O.CC(C)OC(C)C.CCOC(C)=O.CN1CCCC1=O.[HH].[Na+]>[CH3:1][C@H:2]([C:3](=[O:4])[c:5]1[c:6]([F:7])[cH:8][cH:9][cH:10][cH:11]1)[n:12]1[cH:13][cH:14][n:15](-[c:16]2[cH:17][cH:18][c:19]([O:20][CH2:21][C:22]([F:23])([F:24])[CH:25]([F:26])[F:27])[cH:28][cH:29]2)[c:30]1=[O:31] AZYAZXCZGOUZPT-UHFFFAOYSA-N.DSIOMJCSHODZOI-LURJTMIESA-N>>GUHDNJXRRHICIV-CYBMUJFWSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]=[O;D1;H0:4])-[n;H0;D3;+0:8]1:[c:7]:[c:6]:[#7;a:5]:[c:9]:1>>F-C(-F)(-F)-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]=[O;D1;H0:4].[#7;a:5]1:[c:6]:[c:7]:[nH;D2;+0:8]:[c:9]:1 4cdfb5055568c54d4529a7df3fed70d2d2c7abcc10ad50ae465e444efd9ee8e2 O=S(=O)(O[C@@H:2]([CH3:1])[C:3](=[O:4])[c:5]1[c:6]([F:7])[cH:8][cH:9][cH:10][cH:11]1)C(F)(F)F.[nH:12]1[cH:13][cH:14][n:15](-[c:16]2[cH:17][cH:18][c:19]([O:20][C:21]([F:22])([F:23])[CH:24]([F:25])[F:26])[cH:27][cH:28]2)[c:29]1=[O:30]>C1CCOC1.CC(=O)O.CC(C)OC(C)C.CCOC(C)=O.CN1CCCC1=O.[HH].[Na+]>[CH3:1][C@H:2]([C:3](=[O:4])[c:5]1[c:6]([F:7])[cH:8][cH:9][cH:10][cH:11]1)[n:12]1[cH:13][cH:14][n:15](-[c:16]2[cH:17][cH:18][c:19]([O:20][C:21]([F:22])([F:23])[CH:24]([F:25])[F:26])[cH:27][cH:28]2)[c:29]1=[O:30] DSIOMJCSHODZOI-LURJTMIESA-N.NIDYSXPMZBBACE-UHFFFAOYSA-N>>SLDSZVUKWRLUHP-GFCCVEGCSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]=[O;D1;H0:4])-[n;H0;D3;+0:8]1:[c:7]:[c:6]:[#7;a:5]:[c:9]:1>>F-C(-F)(-F)-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]=[O;D1;H0:4].[#7;a:5]1:[c:6]:[c:7]:[nH;D2;+0:8]:[c:9]:1 4cdfb5055568c54d4529a7df3fed70d2d2c7abcc10ad50ae465e444efd9ee8e2 O=[N+]([O-])c1ccc(S(=O)(=O)O[C@@H:6]([C:4]([O:3][CH2:2][CH3:1])=[O:5])[CH2:7][CH2:8][CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)cc1.[NH2:15][CH:16]1[CH2:17][CH2:18][c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[N:25]([CH2:26][c:27]2[cH:28][cH:29][c:30]([CH:31]([CH3:32])[CH3:33])[cH:34][cH:35]2)[C:36]1=[O:37]>C1CCOC1.CCCCCC.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CN1CCOCC1.Cl>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]([CH2:7][CH2:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1)[NH:15][CH:16]1[CH2:17][CH2:18][c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[N:25]([CH2:26][c:27]2[cH:28][cH:29][c:30]([CH:31]([CH3:32])[CH3:33])[cH:34][cH:35]2)[C:36]1=[O:37] MWHAZJOMGDFUBQ-UHFFFAOYSA-N.OZFCJCLQWSLCCF-QGZVFWFLSA-N>>IHDLBOCOISJFFF-XIJSCUBXSA-N 0.0 Unrecognized False stereospecific False [#7:8]-[C:9](=[O;D1;H0:10])-[C:11]-[NH;D2;+0:12]-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7]>>O=[N+](-[O-])-c1:c:c:c(-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7]):c:c:1.[#7:8]-[C:9](=[O;D1;H0:10])-[C:11]-[NH2;D1;+0:12] 144017e97edb8995ee1924dc1b9f6f430e1b47e1398c3cc5f2d41e4920d7b9b8 O=[N+]([O-])c1ccc(S(=O)(=O)O[C@@H:6]([C:4]([O:3][CH2:2][CH3:1])=[O:5])[CH2:7][CH2:8][CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)cc1.[NH2:15][CH:16]1[CH2:17][CH2:18][c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[N:25]([CH2:26][c:27]2[cH:28][cH:29][c:30]([N+:31](=[O:32])[O-:33])[cH:34][cH:35]2)[C:36]1=[O:37]>CN1CCOCC1>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]([CH2:7][CH2:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1)[NH:15][C@@H:16]1[CH2:17][CH2:18][c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[N:25]([CH2:26][c:27]2[cH:28][cH:29][c:30]([N+:31](=[O:32])[O-:33])[cH:34][cH:35]2)[C:36]1=[O:37] OZFCJCLQWSLCCF-QGZVFWFLSA-N.SAYNBUNPJFKBPY-UHFFFAOYSA-N>>PLEHLANRWVAHRF-FTJBHMTQSA-N 0.0 Unrecognized False stereospecific False [#7:8]-[C:9](=[O;D1;H0:10])-[C@@H;D3;+0:11](-[C:12])-[NH;D2;+0:13]-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7]>>O=[N+](-[O-])-c1:c:c:c(-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7]):c:c:1.[#7:8]-[C:9](=[O;D1;H0:10])-[CH;D3;+0:11](-[C:12])-[NH2;D1;+0:13] e48808bce45941f46f3b402650f83b260d0dc9a82624250b75a990594114b3e4 O=[N+]([O-])c1ccc(S(=O)(=O)O[C@@H:6]([C:4]([O:3][CH2:2][CH3:1])=[O:5])[CH2:7][CH2:8][CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)cc1.[NH2:15][CH:16]1[CH2:17][CH2:18][c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[N:25]([CH2:26][c:27]2[cH:28][cH:29][c:30]([C:31]([CH3:32])([CH3:33])[CH3:34])[cH:35][cH:36]2)[C:37]1=[O:38]>CCCCCC.CCOC(C)=O.CN1CCOCC1>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]([CH2:7][CH2:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1)[NH:15][C@@H:16]1[CH2:17][CH2:18][c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[N:25]([CH2:26][c:27]2[cH:28][cH:29][c:30]([C:31]([CH3:32])([CH3:33])[CH3:34])[cH:35][cH:36]2)[C:37]1=[O:38] BJTBJJSCHFYARF-UHFFFAOYSA-N.OZFCJCLQWSLCCF-QGZVFWFLSA-N>>ZREGHVWFKUIKOG-WDYNHAJCSA-N 0.0 Unrecognized False stereospecific False [#7:8]-[C:9](=[O;D1;H0:10])-[C@@H;D3;+0:11](-[C:12])-[NH;D2;+0:13]-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7]>>O=[N+](-[O-])-c1:c:c:c(-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7]):c:c:1.[#7:8]-[C:9](=[O;D1;H0:10])-[CH;D3;+0:11](-[C:12])-[NH2;D1;+0:13] e48808bce45941f46f3b402650f83b260d0dc9a82624250b75a990594114b3e4 O=[N+]([O-])c1ccc(S(=O)(=O)O[C@@H:6]([C:4]([O:3][CH2:2][CH3:1])=[O:5])[CH2:7][CH2:8][CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)cc1.[NH2:15][CH:16]1[CH2:17][CH2:18][c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[N:25]([CH2:26][c:27]2[cH:28][cH:29][c:30]([CH3:31])[cH:32][cH:33]2)[C:34]1=[O:35]>CCCCCC.CCOC(C)=O.CN1CCOCC1>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]([CH2:7][CH2:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1)[NH:15][C@@H:16]1[CH2:17][CH2:18][c:19]2[c:20]([cH:21][cH:22][cH:23][cH:24]2)[N:25]([CH2:26][c:27]2[cH:28][cH:29][c:30]([CH3:31])[cH:32][cH:33]2)[C:34]1=[O:35] OZFCJCLQWSLCCF-QGZVFWFLSA-N.XQULOYJMJCDNCR-UHFFFAOYSA-N>>YBCVOZKQDSXTQX-SXOMAYOGSA-N 0.0 Unrecognized False stereospecific False [#7:8]-[C:9](=[O;D1;H0:10])-[C@@H;D3;+0:11](-[C:12])-[NH;D2;+0:13]-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7]>>O=[N+](-[O-])-c1:c:c:c(-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7]):c:c:1.[#7:8]-[C:9](=[O;D1;H0:10])-[CH;D3;+0:11](-[C:12])-[NH2;D1;+0:13] e48808bce45941f46f3b402650f83b260d0dc9a82624250b75a990594114b3e4 [CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([NH:7][C:8](=[O:9])[NH:10][C@@H:11]2[N:12]=[C:13]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[c:20]3[c:21]([cH:22][cH:23][cH:24][cH:25]3)[N:26]([CH2:27][C:28](=[O:29])[CH:30]3[CH2:31][CH2:32][CH2:33][CH2:34]3)[C:35]2=[O:36])[cH:37]1>CCO.B.[Na+]>[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([NH:7][C:8](=[O:9])[NH:10][C@@H:11]2[N:12]=[C:13]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[c:20]3[c:21]([cH:22][cH:23][cH:24][cH:25]3)[N:26]([CH2:27][C@@H:28]([OH:29])[CH:30]3[CH2:31][CH2:32][CH2:33][CH2:34]3)[C:35]2=[O:36])[cH:37]1 CNBCNQRFXCKGJF-NDEPHWFRSA-N>>QGOXRTGPIJTFEY-IAPPQJPRSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d Br[CH2:14][C@@H:15]1[CH2:16][CH:17]=[CH:18][CH2:19][CH2:20]1.[CH3:1][O:2][C:3]1=[N:4][C@H:5]([CH:6]([CH3:7])[CH3:8])[C:9]([O:10][CH3:11])=[N:12][CH2:13]1>C1CCOC1.CCCCCC.Cl.[Li]CCCC.N>[CH3:1][O:2][C:3]1=[N:4][C@H:5]([CH:6]([CH3:7])[CH3:8])[C:9]([O:10][CH3:11])=[N:12][C@H:13]1[CH2:14][C@@H:15]1[CH2:16][CH:17]=[CH:18][CH2:19][CH2:20]1 FCFWEOGTZZPCTO-MRVPVSSYSA-N.UCJOBPVWCIRPSU-SSDOTTSWSA-N>>KPXWFLBFOFLXAM-HZSPNIEDSA-N 0.0 Unrecognized False substrate controlled False [#7:3]=[C:4]-[C@@H;D3;+0:5](-[#7:6]=[C:7])-[CH2;D2;+0:1]-[C:2]>>Br-[CH2;D2;+0:1]-[C:2].[#7:3]=[C:4]-[CH2;D2;+0:5]-[#7:6]=[C:7] bff9ff3f74e36c076bc6a9093555169c3002e14214cbc0d95cf451ea5f90f486 [CH3:1][C@H:2]1[C@H:3]2[C@H:4]([CH2:5][C@H:6]3[C@@H:7]4[CH2:8][CH2:9][C@H:10]5[CH2:11][C@@H:12]([OH:13])[CH2:14][CH2:15][C@:16]5([CH3:17])[C@H:18]4[CH2:19][C:20](=[O:21])[C@:22]23[CH3:23])[O:24][C@:25]12[CH2:26][CH2:27][C@@H:28]([CH3:29])[CH2:30][O:31]2>CCOCC.[Al+3].[HH].[HH].[HH].[HH].[Li+]>[CH3:1][C@H:2]1[C@H:3]2[C@H:4]([CH2:5][C@H:6]3[C@@H:7]4[CH2:8][CH2:9][C@H:10]5[CH2:11][C@@H:12]([OH:13])[CH2:14][CH2:15][C@:16]5([CH3:17])[C@H:18]4[CH2:19][C@H:20]([OH:21])[C@:22]23[CH3:23])[O:24][C@:25]12[CH2:26][CH2:27][C@@H:28]([CH3:29])[CH2:30][O:31]2 QOLRLLFJMZLYQJ-LOBDNJQFSA-N>>BQNMOLSYHYSCMS-SWSWMETBSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C@H:2]1[C@H:3]2[C@H:4]([CH2:5][C@H:6]3[C@@H:7]4[CH2:8][CH2:9][C@H:10]5[CH2:11][C@@H:12]([OH:13])[CH2:14][CH2:15][C@:16]5([CH3:17])[C@H:18]4[C:19](=[O:20])[C@@H:21]([OH:22])[C@:23]23[CH3:24])[O:25][C@:26]12[CH2:27][CH2:28][C@@H:29]([CH3:30])[CH2:31][O:32]2>N.[Li]>[CH3:1][C@H:2]1[C@H:3]2[C@H:4]([CH2:5][C@H:6]3[C@@H:7]4[CH2:8][CH2:9][C@H:10]5[CH2:11][C@@H:12]([OH:13])[CH2:14][CH2:15][C@:16]5([CH3:17])[C@H:18]4[C@H:19]([OH:20])[C@@H:21]([OH:22])[C@:23]23[CH3:24])[O:25][C@:26]12[CH2:27][CH2:28][C@@H:29]([CH3:30])[CH2:31][O:32]2 DGRJLOFFNWNGJO-YKCHTTGDSA-N>>UKVNNHCMEQBNJV-JYMFVDKDSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 O[OH:15].[CH3:1][C@H:2]1[C@H:3]2[C@H:4]([CH2:5][C@H:6]3[C@@H:7]4[CH2:8][CH2:9][C@H:10]5[CH2:11][C:12](=[O:13])[CH:14]=[CH:16][C@:17]5([CH3:18])[C@H:19]4[CH2:20][CH2:21][C@:22]23[CH3:23])[O:24][C@:25]12[CH2:26][CH2:27][C@@H:28]([CH3:29])[CH2:30][O:31]2>C1CCOC1.CCOC(C)=O.CO.[Na+].O>[CH3:1][C@H:2]1[C@H:3]2[C@H:4]([CH2:5][C@H:6]3[C@@H:7]4[CH2:8][CH2:9][C@H:10]5[CH2:11][C:12](=[O:13])[C@@H:14]6[O:15][C@@H:16]6[C@:17]5([CH3:18])[C@H:19]4[CH2:20][CH2:21][C@:22]23[CH3:23])[O:24][C@:25]12[CH2:26][CH2:27][C@@H:28]([CH3:29])[CH2:30][O:31]2 GNGRJSXLQYQGKU-AIEOQHCFSA-N.MHAJPDPJQMAIIY-UHFFFAOYSA-N>>ACTWNTRXNSPLKV-HAPYTCIFSA-N 0.0 Unrecognized True substrate controlled False [C@H;D3;+0:2]1-[C@H;D3;+0:3]-[O;H0;D2;+0:1]-1>>O-[OH;D1;+0:1].[CH;D2;+0:2]=[CH;D2;+0:3] 9740534d6e53603ec0885d1a62723b33e81cf64c2a5287ad4a8fbbf667c542ac [CH3:1][C:2](=[O:3])[O:4][CH2:5][C@H:6]1[CH2:7][CH2:8][C@:9]2([OH:10])[CH2:11][C:12](=[O:13])[CH2:14][CH2:15][C@:16]12[CH3:17]>CO.B.[Na+]>[CH3:1][C:2](=[O:3])[O:4][CH2:5][C@H:6]1[CH2:7][CH2:8][C@:9]2([OH:10])[CH2:11][C@@H:12]([OH:13])[CH2:14][CH2:15][C@:16]12[CH3:17] RAGXDSJYLYPFCI-RTXFEEFZSA-N>>KPPYRXPZKYFYKS-XQHKEYJVSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d CS(=O)(=O)O[C@@H:5]1[CH2:6][C@@H:7]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][N:13]([CH2:14][CH2:15][OH:16])[CH2:17][CH2:18]2)[N:19]([C:20](=[O:21])[O:22][CH2:23][c:24]2[cH:25][cH:26][c:27]([N+:28](=[O:29])[O-:30])[cH:31][cH:32]2)[CH2:33]1.[CH3:1][C:2]([OH:3])=[S:4]>CC#N.[K+]>[CH3:1][C:2](=[O:3])[S:4][C@H:5]1[CH2:6][C@@H:7]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][N:13]([CH2:14][CH2:15][OH:16])[CH2:17][CH2:18]2)[N:19]([C:20](=[O:21])[O:22][CH2:23][c:24]2[cH:25][cH:26][c:27]([N+:28](=[O:29])[O-:30])[cH:31][cH:32]2)[CH2:33]1 DUYAAUVXQSMXQP-UHFFFAOYSA-N.XMIPVXUDKVLAAU-MSOLQXFVSA-N>>JUPXNXQHDISUQA-OALUTQOASA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:8]-[C;H0;D3;+0:6](-[C;D1;H3:5])=[O;H0;D1;+0:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C;D1;H3:5]-[C;H0;D3;+0:6](-[OH;D1;+0:7])=[S;H0;D1;+0:8] 8096436b5e08800d1c7283ac35d0fd055841f606ca5d135aed3a4c3dc775190f O[C@@H:4]1[CH2:5][C@H:6]2[CH2:7][N:8]([c:9]3[n:10][cH:11][c:12]([F:13])[cH:14][n:15]3)[CH2:16][CH2:17][N:18]2[CH2:19]1.[O:1]=[C:2]([OH:3])[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1>C1CCOC1.CCOC(=O)N=NC(=O)OCC.CO.ClCCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[O:1]=[C:2]([O:3][C@H:4]1[CH2:5][C@H:6]2[CH2:7][N:8]([c:9]3[n:10][cH:11][c:12]([F:13])[cH:14][n:15]3)[CH2:16][CH2:17][N:18]2[CH2:19]1)[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1 MUNPRJATIUVQNI-VHSXEESVSA-N.WPYMKLBDIGXBTP-UHFFFAOYSA-N>>AFFHGUJDPAXTDQ-HOTGVXAUSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:7]-[C:6]=[O;D1;H0:5]>>O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[O;D1;H0:5]=[C:6]-[OH;D1;+0:7] 0da8f215db1d4fa11d2a09112c2ff5ab5aa942c07e7fd962d062328ddf605964 O[C@@H:4]1[CH2:5][C@H:6]2[CH2:7][N:8]([c:9]3[n:10][cH:11][c:12]([Cl:13])[cH:14][cH:15]3)[CH2:16][CH2:17][N:18]2[CH2:19]1.[O:1]=[C:2]([OH:3])[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1>C1CCOC1.CCOC(=O)N=NC(=O)OCC.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[O:1]=[C:2]([O:3][C@H:4]1[CH2:5][C@H:6]2[CH2:7][N:8]([c:9]3[n:10][cH:11][c:12]([Cl:13])[cH:14][cH:15]3)[CH2:16][CH2:17][N:18]2[CH2:19]1)[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1 HKHFOBZOYABVDH-WDEREUQCSA-N.WPYMKLBDIGXBTP-UHFFFAOYSA-N>>PVYBIMHAUMUNAY-IRXDYDNUSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:7]-[C:6]=[O;D1;H0:5]>>O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[O;D1;H0:5]=[C:6]-[OH;D1;+0:7] 0da8f215db1d4fa11d2a09112c2ff5ab5aa942c07e7fd962d062328ddf605964 Br[CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[CH3:1][C:2]([CH3:3])([CH2:4][CH2:5][O:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[CH2:14][C@H:15]([NH:16][C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[C@@H:24]1[CH2:25][CH2:26][C:34](=[O:35])[O:36]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][C:2]([CH3:3])([CH2:4][CH2:5][O:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[CH2:14][C@H:15]([NH:16][C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[C@@H:24]1[CH2:25][C@@H:26]([CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[C:34](=[O:35])[O:36]1 AGEZXYOZHKGVCM-UHFFFAOYSA-N.SHVCAHVYMBQJCF-OALUTQOASA-N>>AHBVRRBLLIDHNT-ZNZIZOMTSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>Br-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 c34de8b187abb041b2c73bdd7e1f00481957a40f634fe1f6b248ef3c8ecce090 [CH3:1][N:2]1[CH2:3][C@H:4]2[C@@H:5]3[CH2:6][C:7](=[O:8])[CH2:9][C@@:10]3([CH3:11])[CH2:12][CH2:13][C@@H:14]2[C@@:15]2([CH3:16])[CH2:17][CH2:18][C:19](=[O:20])[CH:21]=[C:22]12>C1CCOC1.CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C.Cl.N#N.[HH].[Li+]>[CH3:1][N:2]1[CH2:3][C@H:4]2[C@@H:5]3[CH2:6][C@H:7]([OH:8])[CH2:9][C@@:10]3([CH3:11])[CH2:12][CH2:13][C@@H:14]2[C@@:15]2([CH3:16])[CH2:17][CH2:18][C:19](=[O:20])[CH:21]=[C:22]12 FUUAGIHOXBOONG-WHEVEAIOSA-N>>FMCXIUIZCZVHON-HDVFIIHRSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][CH:2]([CH3:3])[C@H:4]([NH:5][C:6](=[O:7])[O:8][CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[C:16](=[O:17])[CH2:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25]>CC(=O)O.CCO.B.[K+]>[CH3:1][CH:2]([CH3:3])[C@H:4]([NH:5][C:6](=[O:7])[O:8][CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[C@H:16]([OH:17])[CH2:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25] FGKFTCDIARXOCS-KRWDZBQOSA-N>>ASBBSKISGIQILH-WBVHZDCISA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11] 0e1d69f48cbf8ac8f61d083080659de3e075286a2dc558bcf97b2d2221b4f6b3 [O:1]=[c:2]1[cH:3][cH:4][c:5]2[c:6]([C:7](=[O:8])[CH2:9][Cl:10])[cH:11][cH:12][c:13]([O:14][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[c:22]2[nH:23]1>B.C1CCOC1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12>[O:1]=[c:2]1[cH:3][cH:4][c:5]2[c:6]([C@@H:7]([OH:8])[CH2:9][Cl:10])[cH:11][cH:12][c:13]([O:14][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[c:22]2[nH:23]1 AUFKEUKWVZCLQD-UHFFFAOYSA-N>>ZKCIIJWVIAWIJD-HNNXBMFYSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][C@@H:7]([CH3:8])[C@H:9]1[CH2:10][CH2:11][C@H:12]2[C@@H:13]3[CH2:14][CH2:15][C:16]4=[CH:17][C:18](=[O:19])[CH2:20][CH2:21][C@:22]4([CH3:23])[C@H:24]3[CH2:25][CH2:26][C@:27]12[CH3:28]>CCCCCC.CCOC(C)=O.CCOCC.[Li]>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][C@@H:7]([CH3:8])[C@H:9]1[CH2:10][CH2:11][C@H:12]2[C@@H:13]3[CH2:14][CH2:15][C@H:16]4[CH2:17][C:18](=[O:19])[CH2:20][CH2:21][C@:22]4([CH3:23])[C@H:24]3[CH2:25][CH2:26][C@:27]12[CH3:28] WDIPFMUQXPGENA-RYVXGLMXSA-N>>SRLWMUQGWKOYLX-MGDRWAAASA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[CH2;D2;+0:4]-[C:5]=[O;D1;H0:6]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[CH;D2;+0:4]-[C:5]=[O;D1;H0:6] 9182058add2a31e71953c59da91495e91a73b68dc14a14f3396d80a99aae5acd [CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[c:7]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:16][cH:17][c:18]([C:19](=[O:20])[CH2:21][Br:22])[cH:23]1>Br.C1CCOC1.CB1OB(C)OB(C)O1.CSC.Cc1ccccc1.OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1>[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[c:7]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:16][cH:17][c:18]([C@@H:19]([OH:20])[CH2:21][Br:22])[cH:23]1 MSZJJGHZRBKVHQ-UHFFFAOYSA-N>>CZFOWMFNLMJDKE-HNNXBMFYSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][CH2:2][O:3][C:4]1=[N:6][C@@H:7]2[CH2:8][c:9]3[cH:10][cH:11][cH:12][cH:13][c:14]3[C@@H:15]2[O:5]1.[NH2:16][c:17]1[c:18]([CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:26][cH:27][cH:28][cH:29]1>CCOCC.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccccc1.O>[CH3:1][CH2:2][O:3][C:4](=[O:5])[NH:6][C@@H:7]1[CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[C@H:15]1[NH:16][c:17]1[c:18]([CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:26][cH:27][cH:28][cH:29]1 DWOBGCPUQNFAFB-UHFFFAOYSA-N.IFVQHWNDNADGRU-MNOVXSKESA-N>>LONWKHHIICJHNX-DNQXCXABSA-N 0.0 Unrecognized False stereospecific False [C:1]-[#8:2]-[C;H0;D3;+0:3](=[O;H0;D1;+0:13])-[NH;D2;+0:4]-[C:5]-[C@H;D3;+0:6](-[NH;D2;+0:14]-[c:15])-[c:7]1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1>>[C:1]-[#8:2]-[C;H0;D3;+0:3]1=[N;H0;D2;+0:4]-[C:5]-[C@H;D3;+0:6](-[c:7]2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2)-[O;H0;D2;+0:13]-1.[NH2;D1;+0:14]-[c:15] ed8706b2b844e087005682d17729daa4cd02c08077cf6e71ac01a199f7ea20e8 [CH3:1][CH2:2][O:3][C:4]1=[N:6][C@@H:7]2[CH2:8][c:9]3[cH:10][cH:11][cH:12][cH:13][c:14]3[C@@H:15]2[O:5]1.[NH2:16][c:17]1[cH:18][cH:19][c:20]([C:21](=[O:22])[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:29][cH:30]1>Cc1ccc(S(=O)(=O)O)cc1.Cc1ccccc1.c1ccccc1>[CH3:1][CH2:2][O:3][C:4](=[O:5])[NH:6][C@@H:7]1[CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[C@H:15]1[NH:16][c:17]1[cH:18][cH:19][c:20]([C:21](=[O:22])[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:29][cH:30]1 IFVQHWNDNADGRU-MNOVXSKESA-N.RBKHNGHPZZZJCI-UHFFFAOYSA-N>>VMOAIKAFUUFWKA-DHIUTWEWSA-N 0.0 Unrecognized False stereospecific False [C:1]-[#8:2]-[C;H0;D3;+0:3](=[O;H0;D1;+0:13])-[NH;D2;+0:4]-[C:5]-[C@H;D3;+0:6](-[NH;D2;+0:14]-[c:15])-[c:7]1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1>>[C:1]-[#8:2]-[C;H0;D3;+0:3]1=[N;H0;D2;+0:4]-[C:5]-[C@H;D3;+0:6](-[c:7]2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2)-[O;H0;D2;+0:13]-1.[NH2;D1;+0:14]-[c:15] ed8706b2b844e087005682d17729daa4cd02c08077cf6e71ac01a199f7ea20e8 [CH3:1][CH2:2][O:3][C:4]1=[N:6][C@@H:7]2[CH2:8][c:9]3[cH:10][cH:11][cH:12][cH:13][c:14]3[C@@H:15]2[O:5]1.[NH2:16][c:17]1[cH:18][c:19]([Cl:20])[c:21]([Cl:22])[cH:23][cH:24]1>Cc1ccc(S(=O)(=O)O)cc1.Cc1ccccc1.c1ccccc1>[CH3:1][CH2:2][O:3][C:4](=[O:5])[NH:6][C@@H:7]1[CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[C@H:15]1[NH:16][c:17]1[cH:18][c:19]([Cl:20])[c:21]([Cl:22])[cH:23][cH:24]1 IFVQHWNDNADGRU-MNOVXSKESA-N.SDYWXFYBZPNOFX-UHFFFAOYSA-N>>CJTJDKVNBLRXSA-IAGOWNOFSA-N 0.0 Unrecognized False stereospecific False [C:1]-[#8:2]-[C;H0;D3;+0:3](=[O;H0;D1;+0:13])-[NH;D2;+0:4]-[C:5]-[C@H;D3;+0:6](-[NH;D2;+0:14]-[c:15])-[c:7]1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1>>[C:1]-[#8:2]-[C;H0;D3;+0:3]1=[N;H0;D2;+0:4]-[C:5]-[C@H;D3;+0:6](-[c:7]2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2)-[O;H0;D2;+0:13]-1.[NH2;D1;+0:14]-[c:15] ed8706b2b844e087005682d17729daa4cd02c08077cf6e71ac01a199f7ea20e8 [CH3:1][CH2:2][O:3][C:4]1=[N:6][C@@H:7]2[CH2:8][CH2:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[C@@H:16]2[O:5]1.[NH2:17][c:18]1[c:19]([CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:27][cH:28][cH:29][cH:30]1>CCCCC.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccccc1.c1ccccc1>[CH3:1][CH2:2][O:3][C:4](=[O:5])[NH:6][C@@H:7]1[CH2:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]2[C@H:16]1[NH:17][c:18]1[c:19]([CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:27][cH:28][cH:29][cH:30]1 DWOBGCPUQNFAFB-UHFFFAOYSA-N.IKMHCQKPLZKSQK-NEPJUHHUSA-N>>CZPBWZRILRHQCK-JWQCQUIFSA-N 0.0 Unrecognized False stereospecific False [C:1]-[#8:2]-[C;H0;D3;+0:3](=[O;H0;D1;+0:13])-[NH;D2;+0:4]-[C:5]-[C@H;D3;+0:6](-[NH;D2;+0:14]-[c:15])-[c:7]1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1>>[C:1]-[#8:2]-[C;H0;D3;+0:3]1=[N;H0;D2;+0:4]-[C:5]-[C@H;D3;+0:6](-[c:7]2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2)-[O;H0;D2;+0:13]-1.[NH2;D1;+0:14]-[c:15] ed8706b2b844e087005682d17729daa4cd02c08077cf6e71ac01a199f7ea20e8 [O:1]=[c:2]1[cH:3][cH:4][c:5]2[c:6]([C:7](=[O:8])[CH2:9][Cl:10])[cH:11][cH:12][c:13]([O:14][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[c:22]2[nH:23]1>B.C1CCOC1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12>[O:1]=[c:2]1[cH:3][cH:4][c:5]2[c:6]([C@@H:7]([OH:8])[CH2:9][Cl:10])[cH:11][cH:12][c:13]([O:14][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[c:22]2[nH:23]1 AUFKEUKWVZCLQD-UHFFFAOYSA-N>>ZKCIIJWVIAWIJD-HNNXBMFYSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[c:7]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:16][cH:17][c:18]([C:19](=[O:20])[CH2:21][Br:22])[cH:23]1>Br.C1CCOC1.CB1OB(C)OB(C)O1.CSC.Cc1ccccc1.OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1>[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[c:7]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:16][cH:17][c:18]([C@@H:19]([OH:20])[CH2:21][Br:22])[cH:23]1 MSZJJGHZRBKVHQ-UHFFFAOYSA-N>>CZFOWMFNLMJDKE-HNNXBMFYSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [C@H:6]12[C@H:7]([OH:8])[C@@H:9]([CH2:10][OH:11])[O:12][C@H:13]1[n:14]1[cH:15][c:16]([CH3:17])[c:18](=[O:19])[n:20][c:21]1[O:22]2.[CH3:1][O:2][CH2:3][CH2:4][OH:5]>COCCOB(OCCOC)OCCOC>[CH3:1][O:2][CH2:3][CH2:4][O:5][C@@H:6]1[C@H:7]([OH:8])[C@@H:9]([CH2:10][OH:11])[O:12][C@H:13]1[n:14]1[cH:15][c:16]([CH3:17])[c:18](=[O:19])[nH:20][c:21]1=[O:22] WLLOAUCNUMYOQI-JAGXHNFQSA-N.XNWFRZJHXBZDAG-UHFFFAOYSA-N>>NEVQCHBUJFYGQO-DNRKLUKYSA-N 0.0 Unrecognized False stereospecific False [#8:1]-[C:2](-[#7;a:3]:[c;H0;D3;+0:4](=[O;H0;D1;+0:7]):[nH;D2;+0:5]:[c:6])-[C@@H;D3;+0:8](-[C:9])-[O;H0;D2;+0:11]-[C:10]>>[#8:1]-[C:2]1-[#7;a:3]:[c;H0;D3;+0:4](:[n;H0;D2;+0:5]:[c:6])-[O;H0;D2;+0:7]-[C@H;D3;+0:8]-1-[C:9].[C:10]-[OH;D1;+0:11] 0e5b5316728b7b81a418cdf5b4ac5188ea9d168a0d0f43fb6241b09403ec4dc7 [CH3:1][C@H:2]1[CH2:3][CH2:4][C@@:5]2([CH3:6])[C:7](=[CH:8][CH2:9][C@H:10]3[C@@H:11]4[CH2:12][C@H:13]([CH3:14])[C:15](=[O:16])[C@@:17]4([CH3:18])[CH2:19][CH2:20][C@H:21]23)[CH2:22]1>CCO.[H][H].[Pd]>[CH3:1][C@H:2]1[CH2:3][CH2:4][C@@:5]2([CH3:6])[C@@H:7]([CH2:8][CH2:9][C@H:10]3[C@@H:11]4[CH2:12][C@H:13]([CH3:14])[C:15](=[O:16])[C@@:17]4([CH3:18])[CH2:19][CH2:20][C@H:21]23)[CH2:22]1 SRQCJJSYWRZVCR-VHPBXDKGSA-N>>QPHBKYSPVSUENU-MVOJFTAWSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[CH2;D2;+0:4]-[C:5]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[CH;D2;+0:4]-[C:5] 05675f9eecea9fed6ca08fc4581511e42ec4fea0ca77351e260a499df9546024 I[CH2:11][c:10]1[c:7]([O:8][CH3:9])[c:4]([O:5][CH3:6])[c:3]([O:2][CH3:1])[cH:35][cH:34]1.[CH2:12]1[CH2:13][C@@H:14]([C@H:15]([CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[NH:23][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[O:31][C:32]1=[O:33]>C1CCOC1.CCC(=O)O.CCOC(C)=O.CN1CCCN(C)C1=O.C[Si](C)(C)N[Si](C)(C)C.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Li+]>[CH3:1][O:2][c:3]1[c:4]([O:5][CH3:6])[c:7]([O:8][CH3:9])[c:10]([CH2:11][C@@H:12]2[CH2:13][C@@H:14]([C@H:15]([CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[NH:23][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[O:31][C:32]2=[O:33])[cH:34][cH:35]1 GSUDDMKSKQVBCT-UHFFFAOYSA-N.YZDUNYUENNWBRE-KBPBESRZSA-N>>TWAYONJUTVZSGS-URVUXULASA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>I-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 f5bc7067092b6644ac6ada7ae64bd9f3439433653a322a4aac7bdf5482a0ec0f Br[CH2:28][c:29]1[cH:30][cH:31][c:32](-[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][cH:40]1.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:23][cH:24]1)[C@@H:25]1[CH2:26][CH2:27][C:41](=[O:42])[O:43]1>C1CCOC1.CCC(=O)O.CCOC(C)=O.CN1CCCN(C)C1=O.C[Si](C)(C)N[Si](C)(C)C.Cc1ccccc1.O.[Li+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([O:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:23][cH:24]1)[C@@H:25]1[CH2:26][C@@H:27]([CH2:28][c:29]2[cH:30][cH:31][c:32](-[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[cH:39][cH:40]2)[C:41](=[O:42])[O:43]1 HZQLUIZFUXNFHK-UHFFFAOYSA-N.VNWHKFGJRJWZCS-SFTDATJTSA-N>>SSWVIPWVAKRZFQ-BJJUCXOISA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>Br-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 c34de8b187abb041b2c73bdd7e1f00481957a40f634fe1f6b248ef3c8ecce090 O=[C:10]([CH2:9][c:8]1[cH:7][c:4]([O:5][CH3:6])[c:3]([O:2][CH3:1])[cH:24][cH:23]1)[CH3:11].[NH2:12][CH2:13][C@H:14]([OH:15])[c:16]1[cH:17][c:18]([Cl:19])[cH:20][cH:21][cH:22]1>O.c1ccccc1>[CH3:1][O:2][c:3]1[c:4]([O:5][CH3:6])[cH:7][c:8]([CH2:9][C@@H:10]([CH3:11])[NH:12][CH2:13][C@H:14]([OH:15])[c:16]2[cH:17][c:18]([Cl:19])[cH:20][cH:21][cH:22]2)[cH:23][cH:24]1 STJIXOUDTUPEEL-QMMMGPOBSA-N.UMYZWICEDUEWIM-UHFFFAOYSA-N>>OFQFWPQFYLFCTO-DYVFJYSZSA-N 0.0 Unrecognized False substrate controlled False [C:4]-[NH;D2;+0:5]-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3]>>O=[C;H0;D3;+0:1](-[C:2])-[C;D1;H3:3].[C:4]-[NH2;D1;+0:5] a8e56c9c6336cfc3fc1d08acd8bbc81ff9882c9f18f2ba601555112e48f8efac O=[CH:10][C@H:12]([OH:11])[C@@H:15]([OH:16])[C@H:17]([OH:18])[C@@H:19]([CH2:13][OH:14])[OH:20].[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][NH2:9]>CCO.CO>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][NH:9][C@@H:10]1[O:11][C@H:12]([CH2:13][OH:14])[C@@H:15]([OH:16])[C@H:17]([OH:18])[C@H:19]1[OH:20] GZCGUPFRVQAUEE-SLPGGIOYSA-N.IOQPZZOEVPZRBK-UHFFFAOYSA-N>>IWKCFHUUBBYMNV-RKQHYHRCSA-N 0.0 Unrecognized True substrate controlled False [NH;D2;+0:10]-[C@@H;D3;+0:1]1-[O;H0;D2;+0:3]-[C@H;D3;+0:2](-[CH2;D2;+0:8]-[OH;D1;+0:9])-[C@H;D3;+0:4]-[C@@H;D3;+0:5]-[C@H;D3;+0:6]-1-[OH;D1;+0:7]>>O=[CH;D2;+0:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C@H;D3;+0:4]-[C@@H;D3;+0:5]-[C@H;D3;+0:6](-[OH;D1;+0:7])-[CH2;D2;+0:8]-[OH;D1;+0:9].[NH2;D1;+0:10] 7a9d1fdf852e2b4a421aeded1c919c2986de64fa24dfc91ff9ef6a6eea7f3df9 Br[CH2:3][CH:2]=[CH2:1].[CH2:4]([C:5](=[O:6])[O:7][CH3:8])[C@:9]([CH3:10])([CH2:11][CH:12]([CH3:13])[CH3:14])[NH:15][C:16](=[O:17])[O:18][CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1>C1CCOC1.CC(C)NC(C)C.[Li+]>[CH2:1]=[CH:2][CH2:3][C@H:4]([C:5](=[O:6])[O:7][CH3:8])[C@:9]([CH3:10])([CH2:11][CH:12]([CH3:13])[CH3:14])[NH:15][C:16](=[O:17])[O:18][CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1 BHELZAPQIKSEDF-UHFFFAOYSA-N.OXTUHDYLWGYBNH-KRWDZBQOSA-N>>MBLABIIQHVIFJO-XLIONFOSSA-N 0.0 Unrecognized False substrate controlled False [C:4]-[C@H;D3;+0:5](-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3])-[C:6](=[O;D1;H0:7])-[#8:8]-[C;D1;H3:9]>>Br-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3].[C:4]-[CH2;D2;+0:5]-[C:6](=[O;D1;H0:7])-[#8:8]-[C;D1;H3:9] 90f67f4b4b3f76193e0fcc1c17d31ae70c1194f3def763fb3dc851171b09a9e2 [CH3:1][C@H:2]([CH2:3][CH2:4][CH2:5][O:6][Si:7]([CH3:8])([CH3:9])[C:10]([CH3:11])([CH3:12])[CH3:13])[C@H:14]1[CH2:15][CH2:16][C@H:17]2[C@H:18]3[C@H:19]([CH2:20][CH2:21][C@:22]12[CH3:23])[C@@:24]1([CH3:25])[CH2:26][CH2:27][C@H:28]([O:29][CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][O:35]2)[CH2:36][C@@H:37]1[CH2:38][C:39]3=[O:40]>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.[K+]>[CH3:1][C@H:2]([CH2:3][CH2:4][CH2:5][O:6][Si:7]([CH3:8])([CH3:9])[C:10]([CH3:11])([CH3:12])[CH3:13])[C@H:14]1[CH2:15][CH2:16][C@H:17]2[C@H:18]3[C@H:19]([CH2:20][CH2:21][C@:22]12[CH3:23])[C@@:24]1([CH3:25])[CH2:26][CH2:27][C@H:28]([O:29][CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][O:35]2)[CH2:36][C@@H:37]1[CH2:38][C@H:39]3[OH:40] DJZINUYETSYGQW-YZEGKOKLSA-N>>WXAUAXUIJYSCPW-OERRTJOESA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[c:6]4[c:7]([cH:8][c:9]([OH:10])[cH:11][cH:12]4)[CH2:13][C@@H:14]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][Cl:20])[C@H:21]3[C@@H:22]1[CH2:23][C@@H:24]([F:25])[C:26]2=[O:27]>C1CCOC1.CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C.O.O=S(=O)(O)O.[HH].[Li+]>[CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[c:6]4[c:7]([cH:8][c:9]([OH:10])[cH:11][cH:12]4)[CH2:13][C@@H:14]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][Cl:20])[C@H:21]3[C@@H:22]1[CH2:23][C@@H:24]([F:25])[C@H:26]2[OH:27] CCZGHWOWQOVVCS-LEODNCDFSA-N>>DKKGEQRIYSZXPM-ZJKDDGFNSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C@:2]12[CH2:3][C@H:4]([F:5])[C@@H:6]3[c:7]4[c:8]([cH:9][c:10]([OH:11])[cH:12][cH:13]4)[CH2:14][C@@H:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][N:21]4[CH2:22][CH2:23][CH2:24][CH:25]4[CH2:26][S:27][CH2:28][CH2:29][CH2:30][C:31]([F:32])([F:33])[C:34]([F:35])([F:36])[F:37])[C@H:38]3[C@@H:39]1[CH2:40][CH2:41][C:42]2=[O:43]>C1CCOC1.CCO.O.B.[Na+]>[CH3:1][C@:2]12[CH2:3][C@H:4]([F:5])[C@@H:6]3[c:7]4[c:8]([cH:9][c:10]([OH:11])[cH:12][cH:13]4)[CH2:14][C@@H:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][N:21]4[CH2:22][CH2:23][CH2:24][CH:25]4[CH2:26][S:27][CH2:28][CH2:29][CH2:30][C:31]([F:32])([F:33])[C:34]([F:35])([F:36])[F:37])[C@H:38]3[C@@H:39]1[CH2:40][CH2:41][C@@H:42]2[OH:43] UIIZQXKOMOEVOB-LJZAPHKQSA-N>>QNRACWLTPOTFOP-DUTFRDGNSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C@:2]12[CH2:3][C@H:4]([F:5])[C@@H:6]3[c:7]4[c:8]([cH:9][c:10]([OH:11])[cH:12][cH:13]4)[CH2:14][C@@H:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][Br:21])[C@H:22]3[C@@H:23]1[CH2:24][CH2:25][C:26]2=[O:27]>C1CCOC1.CCCCCC.CCO.CCOC(C)=O.O.B.[Na+]>[CH3:1][C@:2]12[CH2:3][C@H:4]([F:5])[C@@H:6]3[c:7]4[c:8]([cH:9][c:10]([OH:11])[cH:12][cH:13]4)[CH2:14][C@@H:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][Br:21])[C@H:22]3[C@@H:23]1[CH2:24][CH2:25][C@@H:26]2[OH:27] CXSKMGRAYUAKDF-BLCKHJEYSA-N>>VRSQGTNSGKLTNO-VKWISGEFSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 Br[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][Cl:20].[CH3:1][C@:2]12[CH2:3][C@H:4]([F:5])[C@H:6]3[C@H:7]([C@@H:8]1[CH2:9][CH2:10][C:11]2=[O:12])[CH:13]=[CH:21][C:22]1=[CH:23][C:24](=[O:25])[CH2:26][CH2:27][C@H:28]31>C1CCOC1.CC(=O)O.CN1CCCN(C)C1=O.C[Si](C)(C)Cl.Br.[Cu]I.[Li+].[Mg]>[CH3:1][C@:2]12[CH2:3][C@H:4]([F:5])[C@H:6]3[C@H:7]([C@@H:8]1[CH2:9][CH2:10][C:11]2=[O:12])[C@H:13]([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][Cl:20])[CH2:21][C:22]1=[CH:23][C:24](=[O:25])[CH2:26][CH2:27][C@H:28]31 JTYUIAOHIYZBPB-UHFFFAOYSA-N.ZAAQJXWJIXWNHV-KPKLZHCVSA-N>>BUSHAYROOKNMRB-VPMFRUIVSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@@H;D3;+0:6](-[C:7])-[CH2;D2;+0:5]-[C:4]=[C:3]>>Br-[CH2;D2;+0:1]-[C:2].[C:3]=[C:4]-[CH;D2;+0:5]=[CH;D2;+0:6]-[C:7] 5e7751c0adde1a0dcf941758c4b9c1634d1e3dbe96708369c04f266489519753 Br[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][Cl:19].[CH3:1][C@:2]12[CH2:3][C@H:4]([F:5])[C@H:6]3[C@H:7]([C@@H:8]1[CH2:9][CH2:10][C:11]2=[O:12])[CH:13]=[CH:20][C:21]1=[CH:22][C:23](=[O:24])[CH2:25][CH2:26][C@H:27]31>BrCBr.C1CCOC1.CC(=O)O.CN1CCCN(C)C1=O.C[Si](C)(C)Cl.II.Br.[Cu]I.[Li+].[Mg]>[CH3:1][C@:2]12[CH2:3][C@H:4]([F:5])[C@H:6]3[C@H:7]([C@@H:8]1[CH2:9][CH2:10][C:11]2=[O:12])[C@H:13]([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][Cl:19])[CH2:20][C:21]1=[CH:22][C:23](=[O:24])[CH2:25][CH2:26][C@H:27]31 PHHNNDKXQVKJEP-UHFFFAOYSA-N.ZAAQJXWJIXWNHV-KPKLZHCVSA-N>>QKQBMRSKEDDRHA-UXPCPDBYSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@@H;D3;+0:6](-[C:7])-[CH2;D2;+0:5]-[C:4]=[C:3]>>Br-[CH2;D2;+0:1]-[C:2].[C:3]=[C:4]-[CH;D2;+0:5]=[CH;D2;+0:6]-[C:7] 5e7751c0adde1a0dcf941758c4b9c1634d1e3dbe96708369c04f266489519753 [CH3:1][C@H:2]1[CH2:3][CH2:4][C@H:5]2[C:6]([CH3:7])([CH3:8])[C:9](=[O:10])[CH2:11][CH2:12][C@:13]23[O:14][c:15]2[c:16]([c:20]([O:21][Si:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[CH3:28])[cH:29][c:30]4[c:31]2[CH2:32][NH:33][C:34]4=[O:35])[CH2:17][C@:18]13[CH3:19]>CO.O.B.[Na+]>[CH3:1][C@H:2]1[CH2:3][CH2:4][C@H:5]2[C:6]([CH3:7])([CH3:8])[C@H:9]([OH:10])[CH2:11][CH2:12][C@:13]23[O:14][c:15]2[c:16]([c:20]([O:21][Si:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[CH3:28])[cH:29][c:30]4[c:31]2[CH2:32][NH:33][C:34]4=[O:35])[CH2:17][C@:18]13[CH3:19] POHKZZQIYWNAMK-KBGXZKQMSA-N>>SQKOYXGIWOVEMF-AEWTUORYSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C@H:6]1[CH2:7][CH2:8][CH2:9][C@H:10]2[C:11](=[O:12])[CH2:13][CH2:14][CH2:15][C@:16]12[CH3:17]>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.O.OO.[Li+].[Na+].O>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C@H:6]1[CH2:7][CH2:8][CH2:9][C@H:10]2[C@@H:11]([OH:12])[CH2:13][CH2:14][CH2:15][C@:16]12[CH3:17] YACSLWULOVEUBU-WHOFXGATSA-N>>BUUKCBZLJXTAII-ABHRYQDASA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C@H:2]([CH2:3][OH:4])[C:5]1=[CH:6][CH2:7][CH2:8][C@H:9]2[C@@H:10]([O:11][Si:12]([CH3:13])([CH3:14])[C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:19][CH2:20][CH2:21][C@:22]12[CH3:23]>CCOC(C)=O.O=C(O)O.[Na+].[Pd]>[CH3:1][C@H:2]([CH2:3][OH:4])[C@H:5]1[CH2:6][CH2:7][CH2:8][C@H:9]2[C@@H:10]([O:11][Si:12]([CH3:13])([CH3:14])[C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:19][CH2:20][CH2:21][C@:22]12[CH3:23] NRGLPKVSTMSALB-HGKSCXNLSA-N>>MQGWNVGALNZOGC-PKRADWSKSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[CH2;D2;+0:4]-[C:5]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[CH;D2;+0:4]-[C:5] 05675f9eecea9fed6ca08fc4581511e42ec4fea0ca77351e260a499df9546024 [CH3:1][O:2][C@H:3]1[CH2:4][CH2:5][C@H:6]2[C@@H:7]3[CH2:8][CH2:9][C@H:10]4[CH2:11][C:12](=[O:14])[CH2:15][CH2:16][C@:17]4([CH3:18])[C@H:19]3[CH2:20][CH2:21][C@:22]12[CH3:23].[Li][CH3:13]>C1CCOC1.ClCCl>[CH3:1][O:2][C@H:3]1[CH2:4][CH2:5][C@H:6]2[C@@H:7]3[CH2:8][CH2:9][C@H:10]4[CH2:11][C@:12]([CH3:13])([OH:14])[CH2:15][CH2:16][C@:17]4([CH3:18])[C@H:19]3[CH2:20][CH2:21][C@:22]12[CH3:23] DVSDBMFJEQPWNO-UHFFFAOYSA-N.ZWUUVHILQRWRSQ-VHUDCFPWSA-N>>OREOJLZJLIMVRI-LWYCANNGSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@;H0;D4;+0:3](-[C:4])(-[CH3;D1;+0:1])-[OH;D1;+0:5]>>[CH3;D1;+0:1]-[Li].[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 69026c5b12d28204642ddb70761a8414107a97ee28d0cb9001ca19efc026fec0 [CH3:1][O:2][C@H:3]1[CH2:4][CH2:5][C@H:6]2[C@@H:7]3[CH2:8][CH2:9][C@@H:10]4[CH2:11][C:12](=[O:13])[CH2:14][CH2:15][C@:16]4([CH3:17])[C@H:18]3[CH2:19][CH2:20][C@:21]12[CH3:22]>C1CCOC1.CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C.ClCCl.[HH].[Li+]>[CH3:1][O:2][C@H:3]1[CH2:4][CH2:5][C@H:6]2[C@@H:7]3[CH2:8][CH2:9][C@@H:10]4[CH2:11][C@H:12]([OH:13])[CH2:14][CH2:15][C@:16]4([CH3:17])[C@H:18]3[CH2:19][CH2:20][C@:21]12[CH3:22] ZWUUVHILQRWRSQ-QDYHKBFXSA-N>>DJCLLPRQXAXWAB-GSDNACIXSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH:1]#[C:2][CH2:3][O:4][C@H:5]1[CH2:6][CH2:7][C@H:8]2[C@@H:9]3[CH2:10][CH2:11][C@H:12]4[CH2:13][C:14](=[O:16])[CH2:17][CH2:18][C@:19]4([CH3:20])[C@H:21]3[CH2:22][CH2:23][C@:24]12[CH3:25].[Li][CH3:15]>ClCCl>[CH:1]#[C:2][CH2:3][O:4][C@H:5]1[CH2:6][CH2:7][C@H:8]2[C@@H:9]3[CH2:10][CH2:11][C@H:12]4[CH2:13][C@:14]([CH3:15])([OH:16])[CH2:17][CH2:18][C@:19]4([CH3:20])[C@H:21]3[CH2:22][CH2:23][C@:24]12[CH3:25] DVSDBMFJEQPWNO-UHFFFAOYSA-N.FAONAODENALLAT-QWQRBHLCSA-N>>NZKBLKBNMUVDCF-CULVSFGYSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@;H0;D4;+0:3](-[C:4])(-[CH3;D1;+0:1])-[OH;D1;+0:5]>>[CH3;D1;+0:1]-[Li].[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 69026c5b12d28204642ddb70761a8414107a97ee28d0cb9001ca19efc026fec0 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@H:9]1[CH2:10][CH2:11][C:12](=[O:13])[CH2:14]1>C1CCOC1.CC(C)C(C)B(C(C)C(C)C)C(C)C(C)C.CCOC(C)=O.O.[Li+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@H:9]1[CH2:10][CH2:11][C@@H:12]([OH:13])[CH2:14]1 CLOXAWYNXXEWBT-ZETCQYMHSA-N>>SBUKINULYZANSP-JGVFFNPUSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C@H:8]1[O:9][C@@H:10]1[C:19](=[O:20])[OH:21].[NH2:11][CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1>CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.O.P.Cl.[Na+].O>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C@@H:8]([OH:9])[C@@H:10]([NH:11][CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[C:19](=[O:20])[OH:21] JYAJAIKIBSECPS-BDAKNGLRSA-N.WGQKYBSKWIADBV-UHFFFAOYSA-N>>GIGZIZXSHWJCJG-HZPDHXFCSA-N 0.0 Unrecognized False stereospecific False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C@@H;D3;+0:4](-[NH;D2;+0:8]-[C:9]-[c:10]1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[C:5](=[O;D1;H0:6])-[O;D1;H1:7]>>[C:1]-[C@H;D3;+0:2]1-[O;H0;D2;+0:3]-[C@@H;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[O;D1;H1:7].[NH2;D1;+0:8]-[C:9]-[c:10]1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1 c2e3c854c803a5c133558e29071f05b1a719a4b8545c99ad25202b9dc5e9172e [CH3:1][CH2:2][C@H:3]1[O:4][C@@H:5]1[C:14](=[O:15])[OH:16].[NH2:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1>O.[Na+].O>[CH3:1][CH2:2][C@@H:3]([OH:4])[C@@H:5]([NH:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[C:14](=[O:15])[OH:16] JEFQGTDZXWGWMD-DMTCNVIQSA-N.WGQKYBSKWIADBV-UHFFFAOYSA-N>>CYDWPKKTQUDJLJ-GHMZBOCLSA-N 0.0 Unrecognized False stereospecific False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C@@H;D3;+0:4](-[NH;D2;+0:8]-[C:9]-[c:10]1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[C:5](=[O;D1;H0:6])-[O;D1;H1:7]>>[C:1]-[C@H;D3;+0:2]1-[O;H0;D2;+0:3]-[C@@H;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[O;D1;H1:7].[NH2;D1;+0:8]-[C:9]-[c:10]1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1 c2e3c854c803a5c133558e29071f05b1a719a4b8545c99ad25202b9dc5e9172e [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C@H:16]1[O:17][C@@H:18]1[C:27](=[O:28])[OH:29].[NH2:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1>CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.CC[C@H]1O[C@@H]1C(=O)O.O.Cl.[Na+].O>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C@@H:16]([OH:17])[C@@H:18]([NH:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[C:27](=[O:28])[OH:29] PXNTUSQLBMEDQF-SJORKVTESA-N.WGQKYBSKWIADBV-UHFFFAOYSA-N>>XHAGNTSIVTXCRE-DNQXCXABSA-N 0.0 Unrecognized False stereospecific False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C@@H;D3;+0:4](-[NH;D2;+0:8]-[C:9]-[c:10]1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1)-[C:5](=[O;D1;H0:6])-[O;D1;H1:7]>>[C:1]-[C@H;D3;+0:2]1-[O;H0;D2;+0:3]-[C@@H;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[O;D1;H1:7].[NH2;D1;+0:8]-[C:9]-[c:10]1:[c:11]:[c:12]:[c:13]:[c:14]:[c:15]:1 c2e3c854c803a5c133558e29071f05b1a719a4b8545c99ad25202b9dc5e9172e I[CH2:8][c:7]1[cH:6][cH:5][cH:4][c:3]([O:2][CH3:1])[cH:31]1.[CH2:9]1[CH2:10][C@@H:11]([C@H:12]([CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[O:28][C:29]1=[O:30]>C1CCOC1.CN1CCCN(C)C1=O.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([CH2:8][C@@H:9]2[CH2:10][C@@H:11]([C@H:12]([CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[O:28][C:29]2=[O:30])[cH:31]1 YZDUNYUENNWBRE-KBPBESRZSA-N.ZMRHSVHQTSNEQO-UHFFFAOYSA-N>>NQKAMYSCNOKWCJ-HJNYFJLDSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>I-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 f5bc7067092b6644ac6ada7ae64bd9f3439433653a322a4aac7bdf5482a0ec0f [CH3:1][C:2](=[O:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C@@H:11]4[CH2:12][C:13](=[O:14])[CH2:23][CH2:24][C@:25]4([CH3:26])[C@H:27]3[CH2:28][CH2:29][C@:30]12[CH3:31].[CH:15]#[C:16][c:17]1[n:18][cH:19][cH:20][cH:21][cH:22]1>C1CCOC1.ClCCl.[Li]CCCC>[CH3:1][C:2](=[O:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C@@H:11]4[CH2:12][C@@:13]([OH:14])([C:15]#[C:16][c:17]5[n:18][cH:19][cH:20][cH:21][cH:22]5)[CH2:23][CH2:24][C@:25]4([CH3:26])[C@H:27]3[CH2:28][CH2:29][C@:30]12[CH3:31] NHUBNHMFXQNNMV-UHFFFAOYSA-N.XMRPGKVKISIQBV-XWOJZHJZSA-N>>LSKSLBCIAUFYDS-ARILJOLPSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@@;H0;D4;+0:4](-[C:5])(-[OH;D1;+0:6])-[C;H0;D2;+0:2]#[C:1]>>[C:1]#[CH;D1;+0:2].[C:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 58836c282b6931b384cb00bb1ac4fa972871b83da72ef39cd3f4aba7f066d7bd [CH3:1][CH2:2][O:3][C:4](=[O:5])[CH:6]1[CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[C:14]1=[O:15]>CCO.COc1ccc(C=O)cc1.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=P(O)(O)O.O=P(O)(O)O.Cl.[K+].[K+].[K+].[K+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]1[CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[C@H:14]1[OH:15] CRUSDTXUTKVYLW-UHFFFAOYSA-N>>BYUAUZORSRYAIQ-WDEREUQCSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7])-[C@H;D3;+0:8](-[OH;D1;+0:9])-[c:10]>>[C:1]-[CH;D3;+0:2](-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7])-[C;H0;D3;+0:8](=[O;H0;D1;+0:9])-[c:10] 6832f14c7b0358fa37a31b51f0c9335201030c8705fe39b05e4932dd44d098f0 [CH3:1][CH2:2][O:3][C:4](=[O:5])[CH:6]1[CH2:7][c:8]2[cH:9][c:10]([F:11])[cH:12][cH:13][c:14]2[C:15]1=[O:16]>CCO.COc1ccc(C=O)cc1.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=P(O)(O)O.O=P(O)(O)O.Cl.[K+].[K+].[K+].[K+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]1[CH2:7][c:8]2[cH:9][c:10]([F:11])[cH:12][cH:13][c:14]2[C@H:15]1[OH:16] JVCVLSZRWNQMSW-UHFFFAOYSA-N>>SDSBCZOGQXMAOX-WDEREUQCSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7])-[C@H;D3;+0:8](-[OH;D1;+0:9])-[c:10]>>[C:1]-[CH;D3;+0:2](-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7])-[C;H0;D3;+0:8](=[O;H0;D1;+0:9])-[c:10] 6832f14c7b0358fa37a31b51f0c9335201030c8705fe39b05e4932dd44d098f0 [CH3:1][CH2:2][O:3][C:4](=[O:5])[CH:6]1[CH2:7][c:8]2[cH:9][c:10]([O:11][CH3:12])[cH:13][cH:14][c:15]2[C:16]1=[O:17]>CCO.COc1ccc(C=O)cc1.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=P(O)(O)O.O=P(O)(O)O.Cl.[K+].[K+].[K+].[K+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]1[CH2:7][c:8]2[cH:9][c:10]([O:11][CH3:12])[cH:13][cH:14][c:15]2[C@H:16]1[OH:17] DIDCQPMOTAZCPR-UHFFFAOYSA-N>>FNTISVZLPICZSO-NWDGAFQWSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7])-[C@H;D3;+0:8](-[OH;D1;+0:9])-[c:10]>>[C:1]-[CH;D3;+0:2](-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[C;D1;H3:7])-[C;H0;D3;+0:8](=[O;H0;D1;+0:9])-[c:10] 6832f14c7b0358fa37a31b51f0c9335201030c8705fe39b05e4932dd44d098f0 Br[C:6]([C:4]([O:3][CH2:2][CH3:1])=[O:5])([F:7])[F:8].[CH:9](=[O:10])[C@H:11]([CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26]>C1CCOC1.ClCCl.O=S(=O)(O)O.[K+].[Zn]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6]([F:7])([F:8])[C@H:9]([OH:10])[C@H:11]([CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26] IRSJDVYTJUCXRV-UHFFFAOYSA-N.ZJTYRNPLVNMVPQ-LBPRGKRZSA-N>>ZWVNRNUHMDBKEM-UONOGXRCSA-N 0.0 Unrecognized False substrate controlled False [C:9]-[C@@H;D3;+0:10](-[OH;D1;+0:11])-[C;H0;D4;+0:1](-[F;D1;H0:2])(-[F;D1;H0:3])-[C:4](=[O;D1;H0:5])-[#8:6]-[C:7]-[C;D1;H3:8]>>Br-[C;H0;D4;+0:1](-[F;D1;H0:2])(-[F;D1;H0:3])-[C:4](=[O;D1;H0:5])-[#8:6]-[C:7]-[C;D1;H3:8].[C:9]-[CH;D2;+0:10]=[O;H0;D1;+0:11] ed813bbc99bc5ad0429bda8f21628adc38c782e9370bfabe60ff4c0b0bb9535d [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C:6]1=[CH:7][CH2:8][CH2:9][C:10]1=[O:11]>B1CCON1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CCOCC.CO.CSC.Cl>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C:6]1=[CH:7][CH2:8][CH2:9][C@H:10]1[OH:11] ILHZVKAXFCDFMT-UHFFFAOYSA-N>>WSTAVRJAAUOVKA-SNVBAGLBSA-N 0.0 Unrecognized False reagent controlled False [C:1]=[C:2]-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[C:1]=[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 30b58d787d9916ad48be3323fde35e4d1c60b573ffde717577d2f36c035f619a [CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([O:6][c:7]1[c:8]2[c:14]([cH:15][cH:16][cH:17]1)[C:12](=[O:13])[CH2:11][CH2:10][CH2:9]2)([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>B.C1CCOC1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12>[CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([O:6][c:7]1[c:8]2[c:14]([cH:15][cH:16][cH:17]1)[C@@H:12]([OH:13])[CH2:11][CH2:10][CH2:9]2)([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1 FAVLBTOVCMFZTG-UHFFFAOYSA-N>>MAJXEJNHIUFEPX-DEOSSOPVSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c O[CH2:18][CH:4]([S:3][C@H:2]([CH3:1])[C@:19]([OH:20])([CH2:21][n:22]1[cH:23][n:24][cH:25][n:26]1)[c:27]1[c:28]([F:29])[cH:30][c:31]([F:32])[cH:33][cH:34]1)[CH2:5][OH:6].[CH:7](/[CH:8]=[CH:9]/[c:10]1[cH:11][cH:12][c:13]([Cl:14])[cH:15][cH:16]1)=[O:17]>Cc1ccc(S(=O)(=O)O)cc1.ClCCl.O.O=C(O)O.[Na+]>[CH3:1][C@@H:2]([S:3][C@H:4]1[CH2:5][O:6][C@H:7](/[CH:8]=[CH:9]/[c:10]2[cH:11][cH:12][c:13]([Cl:14])[cH:15][cH:16]2)[O:17][CH2:18]1)[C@:19]([OH:20])([CH2:21][n:22]1[cH:23][n:24][cH:25][n:26]1)[c:27]1[c:28]([F:29])[cH:30][c:31]([F:32])[cH:33][cH:34]1 HONRSHHPFBMLBT-OWOJBTEDSA-N.SQMIRNSTHPHKKB-MEBBXXQBSA-N>>QDKRVHPSOMSCQH-DMRYTBPVSA-N 0.0 Unrecognized True substrate controlled False [S;H0;D2;+0:3]-[C@@H;D3;+0:2]1-[CH2;D2;+0:1]-[O;H0;D2;+0:7]-[C@H;D3;+0:6]-[O;H0;D2;+0:5]-[CH2;D2;+0:4]-1>>O-[CH2;D2;+0:1]-[CH;D3;+0:2](-[S;H0;D2;+0:3])-[CH2;D2;+0:4]-[OH;D1;+0:5].[CH;D2;+0:6]=[O;H0;D1;+0:7] 9d47acf1ce73c04b61454025af6cabfd65b9f44c6f8e9b49719deac760327c37 O[CH2:21][CH:4]([S:3][C@H:2]([CH3:1])[C@:22]([OH:23])([CH2:24][n:25]1[cH:26][n:27][cH:28][n:29]1)[c:30]1[c:31]([F:32])[cH:33][c:34]([F:35])[cH:36][cH:37]1)[CH2:5][OH:6].[CH:7](/[CH:8]=[CH:9]/[c:10]1[cH:11][cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[cH:18][cH:19]1)=[O:20]>>[CH3:1][C@@H:2]([S:3][C@H:4]1[CH2:5][O:6][C@H:7](/[CH:8]=[CH:9]/[c:10]2[cH:11][cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[cH:18][cH:19]2)[O:20][CH2:21]1)[C@:22]([OH:23])([CH2:24][n:25]1[cH:26][n:27][cH:28][n:29]1)[c:30]1[c:31]([F:32])[cH:33][c:34]([F:35])[cH:36][cH:37]1 HYCDCKWWJCPUNT-OWOJBTEDSA-N.SQMIRNSTHPHKKB-MEBBXXQBSA-N>>LYTYLBXOSJTGCK-DMRYTBPVSA-N 0.0 Unrecognized True substrate controlled False [S;H0;D2;+0:3]-[C@@H;D3;+0:2]1-[CH2;D2;+0:1]-[O;H0;D2;+0:7]-[C@H;D3;+0:6]-[O;H0;D2;+0:5]-[CH2;D2;+0:4]-1>>O-[CH2;D2;+0:1]-[CH;D3;+0:2](-[S;H0;D2;+0:3])-[CH2;D2;+0:4]-[OH;D1;+0:5].[CH;D2;+0:6]=[O;H0;D1;+0:7] 9d47acf1ce73c04b61454025af6cabfd65b9f44c6f8e9b49719deac760327c37 O[CH2:18][CH:4]([S:3][C@H:2]([CH3:1])[C@:19]([OH:20])([CH2:21][n:22]1[cH:23][n:24][cH:25][n:26]1)[c:27]1[c:28]([F:29])[cH:30][c:31]([F:32])[cH:33][cH:34]1)[CH2:5][OH:6].[CH:7](/[CH:8]=[CH:9]/[c:10]1[cH:11][cH:12][c:13]([F:14])[cH:15][cH:16]1)=[O:17]>>[CH3:1][C@@H:2]([S:3][C@H:4]1[CH2:5][O:6][C@H:7](/[CH:8]=[CH:9]/[c:10]2[cH:11][cH:12][c:13]([F:14])[cH:15][cH:16]2)[O:17][CH2:18]1)[C@:19]([OH:20])([CH2:21][n:22]1[cH:23][n:24][cH:25][n:26]1)[c:27]1[c:28]([F:29])[cH:30][c:31]([F:32])[cH:33][cH:34]1 SQMIRNSTHPHKKB-MEBBXXQBSA-N.YSIYEWBILJZDQH-OWOJBTEDSA-N>>YRDKXULKXWKEBN-DMRYTBPVSA-N 0.0 Unrecognized True substrate controlled False [S;H0;D2;+0:3]-[C@@H;D3;+0:2]1-[CH2;D2;+0:1]-[O;H0;D2;+0:7]-[C@H;D3;+0:6]-[O;H0;D2;+0:5]-[CH2;D2;+0:4]-1>>O-[CH2;D2;+0:1]-[CH;D3;+0:2](-[S;H0;D2;+0:3])-[CH2;D2;+0:4]-[OH;D1;+0:5].[CH;D2;+0:6]=[O;H0;D1;+0:7] 9d47acf1ce73c04b61454025af6cabfd65b9f44c6f8e9b49719deac760327c37 O[CH2:21][CH:4]([S:3][C@H:2]([CH3:1])[C@:22]([OH:23])([CH2:24][n:25]1[cH:26][n:27][cH:28][n:29]1)[c:30]1[c:31]([F:32])[cH:33][c:34]([F:35])[cH:36][cH:37]1)[CH2:5][OH:6].[CH:7](/[CH:8]=[CH:9]/[c:10]1[cH:11][cH:12][c:13]([S:14]([CH3:15])(=[O:16])=[O:17])[cH:18][cH:19]1)=[O:20]>>[CH3:1][C@@H:2]([S:3][C@H:4]1[CH2:5][O:6][C@H:7](/[CH:8]=[CH:9]/[c:10]2[cH:11][cH:12][c:13]([S:14]([CH3:15])(=[O:16])=[O:17])[cH:18][cH:19]2)[O:20][CH2:21]1)[C@:22]([OH:23])([CH2:24][n:25]1[cH:26][n:27][cH:28][n:29]1)[c:30]1[c:31]([F:32])[cH:33][c:34]([F:35])[cH:36][cH:37]1 NUHLDXPCDZUMCB-NSCUHMNNSA-N.SQMIRNSTHPHKKB-MEBBXXQBSA-N>>JIZLVVZSIICZQD-KYGAPOICSA-N 0.0 Unrecognized True substrate controlled False [S;H0;D2;+0:3]-[C@@H;D3;+0:2]1-[CH2;D2;+0:1]-[O;H0;D2;+0:7]-[C@H;D3;+0:6]-[O;H0;D2;+0:5]-[CH2;D2;+0:4]-1>>O-[CH2;D2;+0:1]-[CH;D3;+0:2](-[S;H0;D2;+0:3])-[CH2;D2;+0:4]-[OH;D1;+0:5].[CH;D2;+0:6]=[O;H0;D1;+0:7] 9d47acf1ce73c04b61454025af6cabfd65b9f44c6f8e9b49719deac760327c37 O[CH2:25][CH:4]([S:3][C@H:2]([CH3:1])[C@:26]([OH:27])([CH2:28][n:29]1[cH:30][n:31][cH:32][n:33]1)[c:34]1[c:35]([F:36])[cH:37][c:38]([F:39])[cH:40][cH:41]1)[CH2:5][OH:6].[CH:7](/[CH:8]=[CH:9]/[CH:10]=[CH:11]/[CH:12]=[CH:13]/[c:14]1[cH:15][cH:16][c:17]([C:18]([F:19])([F:20])[F:21])[cH:22][cH:23]1)=[O:24]>>[CH3:1][C@@H:2]([S:3][C@H:4]1[CH2:5][O:6][C@H:7](/[CH:8]=[CH:9]/[CH:10]=[CH:11]/[CH:12]=[CH:13]/[c:14]2[cH:15][cH:16][c:17]([C:18]([F:19])([F:20])[F:21])[cH:22][cH:23]2)[O:24][CH2:25]1)[C@:26]([OH:27])([CH2:28][n:29]1[cH:30][n:31][cH:32][n:33]1)[c:34]1[c:35]([F:36])[cH:37][c:38]([F:39])[cH:40][cH:41]1 QUXBJPCCNLTJIO-CRQXNEITSA-N.SQMIRNSTHPHKKB-MEBBXXQBSA-N>>LORDHRZXOZPAMP-PGQKCOTRSA-N 0.0 Unrecognized True substrate controlled False [S;H0;D2;+0:3]-[C@@H;D3;+0:2]1-[CH2;D2;+0:1]-[O;H0;D2;+0:7]-[C@H;D3;+0:6]-[O;H0;D2;+0:5]-[CH2;D2;+0:4]-1>>O-[CH2;D2;+0:1]-[CH;D3;+0:2](-[S;H0;D2;+0:3])-[CH2;D2;+0:4]-[OH;D1;+0:5].[CH;D2;+0:6]=[O;H0;D1;+0:7] 9d47acf1ce73c04b61454025af6cabfd65b9f44c6f8e9b49719deac760327c37 O[CH2:23][CH:4]([S:3][C@H:2]([CH3:1])[C@:24]([OH:25])([CH2:26][n:27]1[cH:28][n:29][cH:30][n:31]1)[c:32]1[c:33]([F:34])[cH:35][c:36]([F:37])[cH:38][cH:39]1)[CH2:5][OH:6].[CH:7](/[CH:8]=[CH:9]/[C:10]#[C:11][c:12]1[cH:13][cH:14][c:15]([C:16]([F:17])([F:18])[F:19])[cH:20][cH:21]1)=[O:22]>>[CH3:1][C@@H:2]([S:3][C@H:4]1[CH2:5][O:6][C@H:7](/[CH:8]=[CH:9]/[C:10]#[C:11][c:12]2[cH:13][cH:14][c:15]([C:16]([F:17])([F:18])[F:19])[cH:20][cH:21]2)[O:22][CH2:23]1)[C@:24]([OH:25])([CH2:26][n:27]1[cH:28][n:29][cH:30][n:31]1)[c:32]1[c:33]([F:34])[cH:35][c:36]([F:37])[cH:38][cH:39]1 SQMIRNSTHPHKKB-MEBBXXQBSA-N.XFYBQSJEEZWDNX-HNQUOIGGSA-N>>OWMONAKXNCGDRA-IYFUDPLMSA-N 0.0 Unrecognized True substrate controlled False [S;H0;D2;+0:3]-[C@@H;D3;+0:2]1-[CH2;D2;+0:1]-[O;H0;D2;+0:7]-[C@H;D3;+0:6]-[O;H0;D2;+0:5]-[CH2;D2;+0:4]-1>>O-[CH2;D2;+0:1]-[CH;D3;+0:2](-[S;H0;D2;+0:3])-[CH2;D2;+0:4]-[OH;D1;+0:5].[CH;D2;+0:6]=[O;H0;D1;+0:7] 9d47acf1ce73c04b61454025af6cabfd65b9f44c6f8e9b49719deac760327c37 CC(C)c1cc(C(C)C)c(S(=O)(=O)[N:5]=[N+:6]=[N-:7])c(C(C)C)c1.[CH3:1][C@@H:2]1[CH2:3][CH2:4][C:8](=[O:9])[N:10]1[CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1>C1CCOC1.CC(=O)O.CC(C)NC(C)C.[Li+]>[CH3:1][C@@H:2]1[CH2:3][C@@H:4]([N:5]=[N+:6]=[N-:7])[C:8](=[O:9])[N:10]1[CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1 AEMWUHCKKDPRSK-UHFFFAOYSA-N.DGLZRVVVADDTMJ-SNVBAGLBSA-N>>CDDRORINJJMZNY-MWLCHTKSSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@@H;D3;+0:7](-[C:8])-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]>>C-C(-C)-c1:c:c(-C(-C)-C):c(-S(=O)(=O)-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]):c(-C(-C)-C):c:1.[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 4c0f6ca368fbf857164c4fb998a90b6e130520568e25b67502e84f69dc9edcb6 [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C:6]1=[CH:7][CH2:8][CH2:9][C:10]1=[O:11]>B1CCON1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CCOCC.CO.CSC.Cl>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C:6]1=[CH:7][CH2:8][CH2:9][C@H:10]1[OH:11] ILHZVKAXFCDFMT-UHFFFAOYSA-N>>WSTAVRJAAUOVKA-SNVBAGLBSA-N 0.0 Unrecognized False reagent controlled True [C:1]=[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[C:1]=[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 3d438d587d87521e60f8311dfb4f60605630598ea592a8172db481577c2b213e [CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([O:6][c:7]1[c:8]2[c:14]([cH:15][cH:16][cH:17]1)[C:12](=[O:13])[CH2:11][CH2:10][CH2:9]2)([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>B.C1CCOC1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12>[CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([O:6][c:7]1[c:8]2[c:14]([cH:15][cH:16][cH:17]1)[C@@H:12]([OH:13])[CH2:11][CH2:10][CH2:9]2)([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1 FAVLBTOVCMFZTG-UHFFFAOYSA-N>>MAJXEJNHIUFEPX-DEOSSOPVSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][C@:2]12[CH2:3][C@H:4]([F:5])[C@@H:6]3[c:7]4[c:8]([cH:9][c:10]([OH:11])[cH:12][cH:13]4)[CH2:14][C@@H:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][N:21]4[CH2:22][CH2:23][CH2:24][C@H:25]4[CH2:26][S:27][c:28]4[cH:29][cH:30][c:31]([C:32]([F:33])([F:34])[F:35])[cH:36][cH:37]4)[C@H:38]3[C@@H:39]1[CH2:40][CH2:41][C:42]2=[O:43]>C1CCOC1.CCO.O.B.[Na+]>[CH3:1][C@:2]12[CH2:3][C@H:4]([F:5])[C@@H:6]3[c:7]4[c:8]([cH:9][c:10]([OH:11])[cH:12][cH:13]4)[CH2:14][C@@H:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][N:21]4[CH2:22][CH2:23][CH2:24][C@H:25]4[CH2:26][S:27][c:28]4[cH:29][cH:30][c:31]([C:32]([F:33])([F:34])[F:35])[cH:36][cH:37]4)[C@H:38]3[C@@H:39]1[CH2:40][CH2:41][C@@H:42]2[OH:43] FNBBNPNQQKSBEY-ZZWHODSESA-N>>NLXIKKSOJNYVHB-JKANSSNKSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH2:1]=[CH:2][C@@H:3]([CH3:4])[C@H:5]1[CH2:6][CH2:7][C@H:8]2[C@@H:9]3[CH2:10][CH2:11][C:12]4=[CH:13][C:14](=[O:15])[CH2:16][CH2:17][C@:18]4([CH3:19])[C@H:20]3[CH2:21][CH2:22][C@:23]12[CH3:24]>C1CCOC1.CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C.O.[Li+].[Na+].O>[CH2:1]=[CH:2][C@@H:3]([CH3:4])[C@H:5]1[CH2:6][CH2:7][C@H:8]2[C@@H:9]3[CH2:10][CH2:11][C:12]4=[CH:13][C@@H:14]([OH:15])[CH2:16][CH2:17][C@:18]4([CH3:19])[C@H:20]3[CH2:21][CH2:22][C@:23]12[CH3:24] KMKJWQFKDDPQGP-SEXBJWDNSA-N>>PCJQZQLUKCZSSN-YDDBCJSBSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[C:1]=[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 3d438d587d87521e60f8311dfb4f60605630598ea592a8172db481577c2b213e CC(C)(C)O[OH:17].[CH3:1][NH:2][C:3](=[O:4])[O:5][C@@H:6]1[O:7][CH:8]=[C:9]([C:10](=[O:11])[O:12][CH3:13])[C@H:14]2[CH2:15][CH:16]=[C:18]([CH2:19][OH:20])[C@H:21]12>ClCCl.O=S(O)(O)=S.[Na+].[Na+].[V]>[CH3:1][NH:2][C:3](=[O:4])[O:5][C@@H:6]1[O:7][CH:8]=[C:9]([C:10](=[O:11])[O:12][CH3:13])[C@H:14]2[CH2:15][C@@H:16]3[O:17][C@@:18]3([CH2:19][OH:20])[C@H:21]12 CIHOLLKRGTVIJN-UHFFFAOYSA-N.LJWVTLOLCWIJQM-QRTLGDNMSA-N>>AIQOEEKTPWFJRY-JUXWLEKSSA-N 0.0 Unrecognized True substrate controlled False [C@@;H0;D4;+0:2]1-[C@H;D3;+0:3]-[O;H0;D2;+0:1]-1>>C-C(-C)(-C)-O-[OH;D1;+0:1].[C;H0;D3;+0:2]=[CH;D2;+0:3] e4256eb500c8e4d947a588c37c982cbfedb40d741ed1ba917be555005f843944 [CH3:1][CH2:2][C@@H:3]1[CH2:4][C:5]([CH3:6])([CH3:7])[CH2:8][CH2:9][C:10]1=[O:11]>OC1CCCCC1>[CH3:1][CH2:2][C@@H:3]1[CH2:4][C:5]([CH3:6])([CH3:7])[CH2:8][CH2:9][C@H:10]1[OH:11] JKOKKFRQRVUNGU-MRVPVSSYSA-N>>MIAHHERLQGTCAN-RKDXNWHRSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d O=[CH:16][c:17]1[cH:18][c:19]2[c:20]([cH:21][cH:22]1)[O:23][CH2:24][O:25]2.[CH3:1][O:2][C:3](=[O:4])[C@H:5]([CH2:6][c:7]1[cH:8][nH:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]12)[NH2:26]>>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]1[CH2:6][c:7]2[c:8]([nH:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]23)[C@@H:16]([c:17]2[cH:18][c:19]3[c:20]([cH:21][cH:22]2)[O:23][CH2:24][O:25]3)[NH:26]1 KCUNTYMNJVXYKZ-JTQLQIEISA-N.SATCULPHIDQDRE-UHFFFAOYSA-N>>LIPVUDSNGRJSQE-MAUKXSAKSA-N 0.0 Unrecognized True substrate controlled False [nH;D2;+0:7]:[c;H0;D3;+0:6]1:[c;H0;D3;+0:5]-[CH2;D2;+0:4]-[C@H;D3;+0:3]-[NH;D2;+0:2]-[C@@H;D3;+0:1]-1>>O=[CH;D2;+0:1].[NH2;D1;+0:2]-[C@H;D3;+0:3]-[CH2;D2;+0:4]-[c;H0;D3;+0:5]:[cH;D2;+0:6]:[nH;D2;+0:7] a09504bb4cd728df12a549a3c79bd02dc8c890127c8e2adcf85c5eec01e9da55 Cl[C:20](=[O:21])[O:22][CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:7]=[N:19][C@H:11]([C:9]([OH:8])=[O:10])[CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:30][cH:31]1>[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C@@H:7]2[O:8][C:9](=[O:10])[C@H:11]([CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[N:19]2[C:20](=[O:21])[O:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:30][cH:31]1 HSDAJNMJOMSNEV-UHFFFAOYSA-N.ISHPXGAPSXUXHW-INIZCTEOSA-N>>BNUQVUBDBKNWPK-GOTSBHOMSA-N 0.0 Unrecognized True substrate controlled False [O;H0;D1;+0:2]=[C;H0;D3;+0:1](-[O;H0;D2;+0:3])-[N;H0;D3;+0:5]1-[C@H;D3;+0:6]-[C;H0;D3;+0:7]-[O;H0;D2;+0:8]-[C@H;D3;+0:4]-1>>Cl-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[O;H0;D2;+0:3].[CH;D2;+0:4]=[N;H0;D2;+0:5]-[C@H;D3;+0:6]-[C;H0;D3;+0:7]-[OH;D1;+0:8] 853c408486e2306206d6f6af483b897c4c0b818e80686256307ae39e1d63b6d7 Cl[C:14](=[O:15])[O:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:7]=[N:13][C@H:11]([C:9]([OH:8])=[O:10])[CH3:12])[cH:24][cH:25]1>[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C@@H:7]2[O:8][C:9](=[O:10])[C@H:11]([CH3:12])[N:13]2[C:14](=[O:15])[O:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:24][cH:25]1 CJOXRSBPINDGLL-QMMMGPOBSA-N.HSDAJNMJOMSNEV-UHFFFAOYSA-N>>ALZIMYRJFSJRHM-GUYCJALGSA-N 0.0 Unrecognized True substrate controlled False [O;H0;D1;+0:2]=[C;H0;D3;+0:1](-[O;H0;D2;+0:3])-[N;H0;D3;+0:5]1-[C@H;D3;+0:6]-[C;H0;D3;+0:7]-[O;H0;D2;+0:8]-[C@H;D3;+0:4]-1>>Cl-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[O;H0;D2;+0:3].[CH;D2;+0:4]=[N;H0;D2;+0:5]-[C@H;D3;+0:6]-[C;H0;D3;+0:7]-[OH;D1;+0:8] 853c408486e2306206d6f6af483b897c4c0b818e80686256307ae39e1d63b6d7 Cl[C:17](=[O:18])[O:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:7]=[N:16][C@H:11]([C:9]([OH:8])=[O:10])[CH2:12][CH:13]([CH3:14])[CH3:15])[cH:27][cH:28]1>[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C@@H:7]2[O:8][C:9](=[O:10])[C@H:11]([CH2:12][CH:13]([CH3:14])[CH3:15])[N:16]2[C:17](=[O:18])[O:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:27][cH:28]1 HKIXQUJSCKRTQW-ZDUSSCGKSA-N.HSDAJNMJOMSNEV-UHFFFAOYSA-N>>LGPUVKOBWMYZGW-PMACEKPBSA-N 0.0 Unrecognized True substrate controlled False [O;H0;D1;+0:2]=[C;H0;D3;+0:1](-[O;H0;D2;+0:3])-[N;H0;D3;+0:5]1-[C@H;D3;+0:6]-[C;H0;D3;+0:7]-[O;H0;D2;+0:8]-[C@H;D3;+0:4]-1>>Cl-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[O;H0;D2;+0:3].[CH;D2;+0:4]=[N;H0;D2;+0:5]-[C@H;D3;+0:6]-[C;H0;D3;+0:7]-[OH;D1;+0:8] 853c408486e2306206d6f6af483b897c4c0b818e80686256307ae39e1d63b6d7 Cl[C:16](=[O:17])[O:18][CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:7]=[N:15][C@H:11]([C:9]([OH:8])=[O:10])[CH:12]([CH3:13])[CH3:14])[cH:26][cH:27]1>[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C@@H:7]2[O:8][C:9](=[O:10])[C@H:11]([CH:12]([CH3:13])[CH3:14])[N:15]2[C:16](=[O:17])[O:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:26][cH:27]1 GYZSTBYOWLMUEN-LBPRGKRZSA-N.HSDAJNMJOMSNEV-UHFFFAOYSA-N>>OHPKSCMFBCYUJR-OALUTQOASA-N 0.0 Unrecognized True substrate controlled False [O;H0;D1;+0:2]=[C;H0;D3;+0:1](-[O;H0;D2;+0:3])-[N;H0;D3;+0:5]1-[C@H;D3;+0:6]-[C;H0;D3;+0:7]-[O;H0;D2;+0:8]-[C@H;D3;+0:4]-1>>Cl-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[O;H0;D2;+0:3].[CH;D2;+0:4]=[N;H0;D2;+0:5]-[C@H;D3;+0:6]-[C;H0;D3;+0:7]-[OH;D1;+0:8] 853c408486e2306206d6f6af483b897c4c0b818e80686256307ae39e1d63b6d7 [CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[c:6]4[c:7]([cH:8][c:9]([O:10][CH2:11][c:12]5[cH:13][cH:14][cH:15][cH:16][cH:17]5)[cH:18][cH:19]4)[CH2:20][CH2:21][C@H:22]3[C@@H:23]1[CH2:24][CH2:25][C:26]2=[O:27]>C1CCOC1.CO.B.[Na+]>[CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[c:6]4[c:7]([cH:8][c:9]([O:10][CH2:11][c:12]5[cH:13][cH:14][cH:15][cH:16][cH:17]5)[cH:18][cH:19]4)[CH2:20][CH2:21][C@H:22]3[C@@H:23]1[CH2:24][CH2:25][C@@H:26]2[OH:27] MSINETGATWEUAB-AHCIIZGASA-N>>KTONJCQNAMVMHS-VAFBSOEGSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C:2](=[O:3])/[CH:4]=[CH:5]/[S:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1>CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CSC.Cc1ccccc1.Cl.N>[CH3:1][C@@H:2]([OH:3])/[CH:4]=[CH:5]/[S:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1 IUDATFOKAOFQMH-BQYQJAHWSA-N>>YDPGZDLAFKEWDT-FCZSHJHJSA-N 0.0 Unrecognized False reagent controlled False [#16:1]/[C:2]=[C:3]/[C@@H;D3;+0:4](-[C;D1;H3:5])-[OH;D1;+0:6]>>[#16:1]/[C:2]=[C:3]/[C;H0;D3;+0:4](-[C;D1;H3:5])=[O;H0;D1;+0:6] 5839c0180a694f249930a718825db1896358998ac29f3daffa9adf23cca057ce [CH3:1][C:2](=[O:3])/[CH:4]=[CH:5]/[S:6][c:7]1[cH:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[cH:15][cH:16]1>CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CSC.Cc1ccccc1.Cl.N>[CH3:1][C@@H:2]([OH:3])/[CH:4]=[CH:5]/[S:6][c:7]1[cH:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[cH:15][cH:16]1 AHBKRVCARHWXGH-CMDGGOBGSA-N>>PJDZDRROWWNSHB-ANYFNZRUSA-N 0.0 Unrecognized False reagent controlled False [#16:1]/[C:2]=[C:3]/[C@@H;D3;+0:4](-[C;D1;H3:5])-[OH;D1;+0:6]>>[#16:1]/[C:2]=[C:3]/[C;H0;D3;+0:4](-[C;D1;H3:5])=[O;H0;D1;+0:6] 5839c0180a694f249930a718825db1896358998ac29f3daffa9adf23cca057ce [CH3:1][C:2](=[O:3])/[CH:4]=[CH:5]/[S:6][C:7]([CH3:8])([CH3:9])[CH3:10]>CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CSC.Cc1ccccc1.Cl.N>[CH3:1][C@@H:2]([OH:3])/[CH:4]=[CH:5]/[S:6][C:7]([CH3:8])([CH3:9])[CH3:10] CMXTUSOXRDMFTI-AATRIKPKSA-N>>DYKMBCBFWKRLGB-WEWAHIQMSA-N 0.0 Unrecognized False reagent controlled False [#16:1]/[C:2]=[C:3]/[C@@H;D3;+0:4](-[C;D1;H3:5])-[OH;D1;+0:6]>>[#16:1]/[C:2]=[C:3]/[C;H0;D3;+0:4](-[C;D1;H3:5])=[O;H0;D1;+0:6] 5839c0180a694f249930a718825db1896358998ac29f3daffa9adf23cca057ce [CH3:1][c:2]1[cH:3][cH:4][c:5]([CH3:6])[n:7]1-[c:8]1[cH:9][cH:10][c:11]([C:12](=[O:13])[CH2:14][Cl:15])[cH:16][n:17]1>C[C@H]1[C@H](B2C3CCCC2CCC3)C[C@H]2C[C@H]1C2(C)C>[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH3:6])[n:7]1-[c:8]1[cH:9][cH:10][c:11]([C@@H:12]([OH:13])[CH2:14][Cl:15])[cH:16][n:17]1 LUYDCKABOZKBMK-UHFFFAOYSA-N>>ASTYBYHAJVYLKA-LBPRGKRZSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 8195ad48987c12d459870b75bedef46a37480b4c6c44771b180631aa2774a53a Cl[C:8]([CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])=[O:9].[C@@H:10]1([n:11]2[cH:12][n:13][c:14]3[c:15]2[n:16][c:17]([NH2:18])[nH:19][c:20]3=[O:21])[O:22][C@H:23]([CH2:24][OH:25])[C@@H:26]([OH:27])[C@H:28]1[OH:29]>CN(C)C=O.CN(C)c1ccncc1>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C:8](=[O:9])[C@@:10]1([n:11]2[cH:12][n:13][c:14]3[c:15]2[n:16][c:17]([NH2:18])[nH:19][c:20]3=[O:21])[O:22][C@H:23]([CH2:24][OH:25])[C@@H:26]([OH:27])[C@H:28]1[OH:29] NYHBQMYGNKIUIF-UUOKFMHZSA-N.REEZZSHJLXOIHL-UHFFFAOYSA-N>>YVWPCDUHAMLBES-OXQGGJHDSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]-[C@;H0;D4;+0:5](-[#8:6])(-[C:7])-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]>>Cl-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3].[#7;a:4]-[C@H;D3;+0:5](-[#8:6])-[C:7] ca2d191f2b2a7ea2d22dcd504b442bdf33a831251d33289e80ce5ae9bdc02caa Cl[C:12]([CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])=[O:13].[C@@H:14]1([n:15]2[cH:16][n:17][c:18]3[c:19]2[n:20][c:21]([NH2:22])[nH:23][c:24]3=[O:25])[O:26][C@H:27]([CH2:28][OH:29])[C@@H:30]([OH:31])[C@H:32]1[OH:33]>CN(C)C=O.CN(C)c1ccncc1>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][C:12](=[O:13])[C@@:14]1([n:15]2[cH:16][n:17][c:18]3[c:19]2[n:20][c:21]([NH2:22])[nH:23][c:24]3=[O:25])[O:26][C@H:27]([CH2:28][OH:29])[C@@H:30]([OH:31])[C@H:32]1[OH:33] NQGIJDNPUZEBRU-UHFFFAOYSA-N.NYHBQMYGNKIUIF-UUOKFMHZSA-N>>KMNSSNMGRBXFBQ-SAJUPQAESA-N 0.0 Unrecognized False stereospecific False [#7;a:4]-[C@;H0;D4;+0:5](-[#8:6])(-[C:7])-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]>>Cl-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3].[#7;a:4]-[C@H;D3;+0:5](-[#8:6])-[C:7] ca2d191f2b2a7ea2d22dcd504b442bdf33a831251d33289e80ce5ae9bdc02caa Cl[C:16]([CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])=[O:17].[C@@H:18]1([n:19]2[cH:20][n:21][c:22]3[c:23]2[n:24][c:25]([NH2:26])[nH:27][c:28]3=[O:29])[O:30][C@H:31]([CH2:32][OH:33])[C@@H:34]([OH:35])[C@H:36]1[OH:37]>CN(C)C=O.CN(C)c1ccncc1>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C:16](=[O:17])[C@@:18]1([n:19]2[cH:20][n:21][c:22]3[c:23]2[n:24][c:25]([NH2:26])[nH:27][c:28]3=[O:29])[O:30][C@H:31]([CH2:32][OH:33])[C@@H:34]([OH:35])[C@H:36]1[OH:37] ARBOVOVUTSQWSS-UHFFFAOYSA-N.NYHBQMYGNKIUIF-UUOKFMHZSA-N>>LWCWIUMLSXOVLH-IUVOSCESSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]-[C@;H0;D4;+0:5](-[#8:6])(-[C:7])-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]>>Cl-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3].[#7;a:4]-[C@H;D3;+0:5](-[#8:6])-[C:7] ca2d191f2b2a7ea2d22dcd504b442bdf33a831251d33289e80ce5ae9bdc02caa Cl[C:16]([CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])=[O:17].[C@@H:18]1([n:19]2[cH:20][n:21][c:22]3[c:23]2[nH:24][c:25](=[O:26])[nH:27][c:28]3=[O:29])[O:30][C@H:31]([CH2:32][OH:33])[C@@H:34]([OH:35])[C@H:36]1[OH:37]>CN(C)C=O.CN(C)c1ccncc1.O.O>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C:16](=[O:17])[C@@:18]1([n:19]2[cH:20][n:21][c:22]3[c:23]2[nH:24][c:25](=[O:26])[nH:27][c:28]3=[O:29])[O:30][C@H:31]([CH2:32][OH:33])[C@@H:34]([OH:35])[C@H:36]1[OH:37] ARBOVOVUTSQWSS-UHFFFAOYSA-N.UBORTCNDUKBEOP-UUOKFMHZSA-N>>IFGPHQIYUYNHHL-IUVOSCESSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]-[C@;H0;D4;+0:5](-[#8:6])(-[C:7])-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]>>Cl-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3].[#7;a:4]-[C@H;D3;+0:5](-[#8:6])-[C:7] ca2d191f2b2a7ea2d22dcd504b442bdf33a831251d33289e80ce5ae9bdc02caa Cl[C:16]([CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])=[O:17].[C@@H:18]1([n:19]2[cH:20][n:21][c:22]3[c:23]2[n:24][cH:25][n:26][c:27]3[OH:28])[O:29][C@H:30]([CH2:31][OH:32])[C@@H:33]([OH:34])[C@H:35]1[OH:36]>CN(C)C=O.CN(C)c1ccncc1>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C:16](=[O:17])[C@@:18]1([n:19]2[cH:20][n:21][c:22]3[c:23]2[n:24][cH:25][n:26][c:27]3[OH:28])[O:29][C@H:30]([CH2:31][OH:32])[C@@H:33]([OH:34])[C@H:35]1[OH:36] ARBOVOVUTSQWSS-UHFFFAOYSA-N.UGQMRVRMYYASKQ-KQYNXXCUSA-N>>WUZMBQVWKLBQLV-VJUOEERUSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]-[C@;H0;D4;+0:5](-[#8:6])(-[C:7])-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]>>Cl-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3].[#7;a:4]-[C@H;D3;+0:5](-[#8:6])-[C:7] ca2d191f2b2a7ea2d22dcd504b442bdf33a831251d33289e80ce5ae9bdc02caa Cl[C:16]([CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])=[O:17].[C@H:18]1([n:19]2[cH:20][n:21][c:22]3[c:23]2[n:24][cH:25][n:26][c:27]3[OH:28])[CH2:29][C@H:30]([OH:31])[C@@H:32]([CH2:33][OH:34])[O:35]1>CN(C)C=O.CN(C)c1ccncc1>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C:16](=[O:17])[C@:18]1([n:19]2[cH:20][n:21][c:22]3[c:23]2[n:24][cH:25][n:26][c:27]3[OH:28])[CH2:29][C@H:30]([OH:31])[C@@H:32]([CH2:33][OH:34])[O:35]1 ARBOVOVUTSQWSS-UHFFFAOYSA-N.VGONTNSXDCQUGY-RRKCRQDMSA-N>>RMCVICQPDFSKKV-UZINWLIJSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]-[C@;H0;D4;+0:5](-[#8:6])(-[C:7])-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]>>Cl-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3].[#7;a:4]-[C@H;D3;+0:5](-[#8:6])-[C:7] ca2d191f2b2a7ea2d22dcd504b442bdf33a831251d33289e80ce5ae9bdc02caa Cl[C:16]([CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])=[O:17].[C@H:18]1([n:19]2[cH:20][n:21][c:22]3[c:23]2[n:24][c:25]([NH2:26])[nH:27][c:28]3=[O:29])[CH2:30][C@H:31]([OH:32])[C@@H:33]([CH2:34][OH:35])[O:36]1>CCN(CC)CC.CN(C)C=O.CN(C)c1ccncc1.O.O.O=C(O)O.[Na+]>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C:16](=[O:17])[C@:18]1([n:19]2[cH:20][n:21][c:22]3[c:23]2[n:24][c:25]([NH2:26])[nH:27][c:28]3=[O:29])[CH2:30][C@H:31]([OH:32])[C@@H:33]([CH2:34][OH:35])[O:36]1 ARBOVOVUTSQWSS-UHFFFAOYSA-N.YKBGVTZYEHREMT-KVQBGUIXSA-N>>FGOXZTDGJPQXHX-UNVFRBQDSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]-[C@;H0;D4;+0:5](-[#8:6])(-[C:7])-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3]>>Cl-[C;H0;D3;+0:1](-[C:2])=[O;D1;H0:3].[#7;a:4]-[C@H;D3;+0:5](-[#8:6])-[C:7] ca2d191f2b2a7ea2d22dcd504b442bdf33a831251d33289e80ce5ae9bdc02caa O1[C@@H:3]([c:10]2[cH:11][c:12]([O:13][CH2:14][c:15]3[cH:16][cH:17][cH:18][cH:19][cH:20]3)[cH:21][cH:22][cH:23]2)[CH2:4]1.[CH3:1][NH2:2].[NH:5]1[CH2:6][CH2:7][CH2:8][CH2:9]1>CCN(CC)CC.CCO.CS(=O)(=O)Cl.O>[CH3:1][NH:2][C@H:3]([CH2:4][N:5]1[CH2:6][CH2:7][CH2:8][CH2:9]1)[c:10]1[cH:11][c:12]([O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:21][cH:22][cH:23]1 BAVYZALUXZFZLV-UHFFFAOYSA-N.MTDSMQMSFFLKLG-OAHLLOKOSA-N.RWRDLPDLKQPQOW-UHFFFAOYSA-N>>BRBIZTZOUPFAOI-HXUWFJFHSA-N 0.0 Unrecognized False stereospecific False [C:11]-[N;H0;D3;+0:12](-[C:13])-[CH2;D2;+0:1]-[C@@H;D3;+0:2](-[NH;D2;+0:10]-[C;D1;H3:9])-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1>>O1-[CH2;D2;+0:1]-[C@@H;D3;+0:2]-1-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1.[C;D1;H3:9]-[NH2;D1;+0:10].[C:11]-[NH;D2;+0:12]-[C:13] c0bf7e1b60587317140f72d9a0758f9305d616c1504953b5f2d51307291019df O=[CH:22][CH2:23][C:24]12[CH2:25][CH:26]3[CH2:27][CH:28]([CH2:29][CH:30]([CH2:31]3)[CH2:32]1)[CH2:33]2.[O:1]=[C:2]([O:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[C@H:11]([CH2:12][c:13]1[cH:14][nH:15][c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]12)[NH2:34]>CCOC(C)=O.ClCCl.ClCCl.O=C(O)C(F)(F)F>[O:1]=[C:2]([O:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[C@@H:11]1[CH2:12][c:13]2[c:14]([nH:15][c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]23)[C@@H:22]([CH2:23][C:24]23[CH2:25][CH:26]4[CH2:27][CH:28]([CH2:29][CH:30]([CH2:31]4)[CH2:32]2)[CH2:33]3)[NH:34]1 BLQURGBJSSSGAU-UHFFFAOYSA-N.TYQYRKDGHAPZRF-INIZCTEOSA-N>>XMYWZRUVOIMKMZ-VTIWPGKESA-N 0.0 Unrecognized True substrate controlled False [nH;D2;+0:7]:[c;H0;D3;+0:6]1:[c;H0;D3;+0:5]-[CH2;D2;+0:4]-[C@H;D3;+0:3]-[NH;D2;+0:2]-[C@@H;D3;+0:1]-1>>O=[CH;D2;+0:1].[NH2;D1;+0:2]-[C@H;D3;+0:3]-[CH2;D2;+0:4]-[c;H0;D3;+0:5]:[cH;D2;+0:6]:[nH;D2;+0:7] a09504bb4cd728df12a549a3c79bd02dc8c890127c8e2adcf85c5eec01e9da55 [CH3:1][C:2](=[O:3])/[CH:4]=[CH:5]/[S:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1>CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CSC.Cc1ccccc1.Cl.N>[CH3:1][C@@H:2]([OH:3])/[CH:4]=[CH:5]/[S:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1 IUDATFOKAOFQMH-BQYQJAHWSA-N>>YDPGZDLAFKEWDT-FCZSHJHJSA-N 0.0 Unrecognized False reagent controlled True [#16:1]/[C:2]=[C:3]/[C@H;D3;+0:4](-[C;D1;H3:5])-[OH;D1;+0:6]>>[#16:1]/[C:2]=[C:3]/[C;H0;D3;+0:4](-[C;D1;H3:5])=[O;H0;D1;+0:6] d7bc230b9143af01ae6009603c72fb565a8f52ff8f36f4f48106a0a498991975 [CH3:1][C:2](=[O:3])/[CH:4]=[CH:5]/[S:6][c:7]1[cH:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[cH:15][cH:16]1>CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CSC.Cc1ccccc1.Cl.N>[CH3:1][C@@H:2]([OH:3])/[CH:4]=[CH:5]/[S:6][c:7]1[cH:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]2[cH:15][cH:16]1 AHBKRVCARHWXGH-CMDGGOBGSA-N>>PJDZDRROWWNSHB-ANYFNZRUSA-N 0.0 Unrecognized False reagent controlled True [#16:1]/[C:2]=[C:3]/[C@H;D3;+0:4](-[C;D1;H3:5])-[OH;D1;+0:6]>>[#16:1]/[C:2]=[C:3]/[C;H0;D3;+0:4](-[C;D1;H3:5])=[O;H0;D1;+0:6] d7bc230b9143af01ae6009603c72fb565a8f52ff8f36f4f48106a0a498991975 [CH3:1][C:2](=[O:3])/[CH:4]=[CH:5]/[S:6][C:7]([CH3:8])([CH3:9])[CH3:10]>CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CSC.Cc1ccccc1.Cl.N>[CH3:1][C@@H:2]([OH:3])/[CH:4]=[CH:5]/[S:6][C:7]([CH3:8])([CH3:9])[CH3:10] CMXTUSOXRDMFTI-AATRIKPKSA-N>>DYKMBCBFWKRLGB-WEWAHIQMSA-N 0.0 Unrecognized False reagent controlled True [#16:1]/[C:2]=[C:3]/[C@H;D3;+0:4](-[C;D1;H3:5])-[OH;D1;+0:6]>>[#16:1]/[C:2]=[C:3]/[C;H0;D3;+0:4](-[C;D1;H3:5])=[O;H0;D1;+0:6] d7bc230b9143af01ae6009603c72fb565a8f52ff8f36f4f48106a0a498991975 [CH3:1][c:2]1[cH:3][cH:4][c:5]([CH3:6])[n:7]1-[c:8]1[cH:9][cH:10][c:11]([C:12](=[O:13])[CH2:14][Cl:15])[cH:16][n:17]1>C[C@H]1[C@H](B2C3CCCC2CCC3)C[C@H]2C[C@H]1C2(C)C>[CH3:1][c:2]1[cH:3][cH:4][c:5]([CH3:6])[n:7]1-[c:8]1[cH:9][cH:10][c:11]([C@@H:12]([OH:13])[CH2:14][Cl:15])[cH:16][n:17]1 LUYDCKABOZKBMK-UHFFFAOYSA-N>>ASTYBYHAJVYLKA-LBPRGKRZSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 59818681547a35b540f5f8f7dbade1077a9ae258660c4149c86b99538d1ed2c0 [CH3:1][CH2:2][CH2:3][CH2:4][C@@H:5]([CH2:6][C:7](=[O:8])[CH2:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[O:17][CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1>CO>[CH3:1][CH2:2][CH2:3][CH2:4][C@@H:5]([CH2:6][C@H:7]([OH:8])[CH2:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[O:17][CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1 SMXJEJCCEPOJQU-SFHVURJKSA-N>>JVGWSCRABYRNAP-ROUUACIJSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11] 0e1d69f48cbf8ac8f61d083080659de3e075286a2dc558bcf97b2d2221b4f6b3 [CH3:1][CH2:2][CH2:3][CH2:4][C@@H:5]([CH3:6])[CH2:7][C:8](=[O:9])[CH2:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17]>CO.ClCCl>[CH3:1][CH2:2][CH2:3][CH2:4][C@@H:5]([CH3:6])[CH2:7][C@H:8]([OH:9])[CH2:10][C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17] CLTZVIGFJFKFIS-LLVKDONJSA-N>>SYBLRPOBQBPDSG-NEPJUHHUSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11] 0e1d69f48cbf8ac8f61d083080659de3e075286a2dc558bcf97b2d2221b4f6b3 Cl[C@H:13]1[CH2:12][CH2:11][CH2:10][N:9]([CH2:8][CH2:7][c:6]2[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:31][cH:30]2)[CH2:14]1.[NH:15]1[c:16]2[c:17]([cH:18][cH:19][cH:20][cH:21]2)[O:23][CH2:22][c:24]2[c:25]1[cH:26][cH:27][cH:28][cH:29]2>CS(C)=O.[HH].[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][CH2:8][N:9]2[CH2:10][CH2:11][CH2:12][C@@H:13]2[CH2:14][N:15]2[c:16]3[c:17]([cH:18][cH:19][cH:20][cH:21]3)[CH2:22][O:23][c:24]3[c:25]2[cH:26][cH:27][cH:28][cH:29]3)[cH:30][cH:31]1 RAUSLMRPEWXFMC-ZDUSSCGKSA-N.SLGIBJWUMUWIFH-UHFFFAOYSA-N>>REUFESBNLHXVHN-HSZRJFAPSA-N 0.0 Unrecognized False stereospecific False [C:5]-[N;H0;D3;+0:4](-[C:6])-[C@H;D3;+0:1](-[C:2])-[CH2;D2;+0:3]-[N;H0;D3;+0:10]1-[c:9]:[c;H0;D3;+0:8](:[c:7])-[CH2;D2;+0:17]-[O;H0;D2;+0:18]-[c;H0;D3;+0:16]2:[c:15]:[c:14]:[c:13]:[c:12]:[c:11]:2-1>>Cl-[C@@H;D3;+0:1](-[C:2])-[CH2;D2;+0:3]-[N;H0;D3;+0:4](-[C:5])-[C:6].[c:7]:[c;H0;D3;+0:8]1:[c:9]-[NH;D2;+0:10]-[c:11]2:[c:12]:[c:13]:[c:14]:[c:15]:[c;H0;D3;+0:16]:2-[CH2;D2;+0:17]-[O;H0;D2;+0:18]-1 45ae9a0a1e5f60119235bf4f17f36d95c4f850db398b6e85c6e73b7b90f5cf25 Cl[C@H:12]1[CH2:11][CH2:10][CH2:9][N:8]([CH2:7][CH2:6][c:5]2[cH:4][cH:3][c:2]([F:1])[cH:30][cH:29]2)[CH2:13]1.[NH:14]1[c:15]2[c:16]([cH:17][cH:18][cH:19][cH:20]2)[O:22][CH2:21][c:23]2[c:24]1[cH:25][cH:26][cH:27][cH:28]2>CS(C)=O.[HH].[Na+]>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][N:8]2[CH2:9][CH2:10][CH2:11][C@@H:12]2[CH2:13][N:14]2[c:15]3[c:16]([cH:17][cH:18][cH:19][cH:20]3)[CH2:21][O:22][c:23]3[c:24]2[cH:25][cH:26][cH:27][cH:28]3)[cH:29][cH:30]1 SLGIBJWUMUWIFH-UHFFFAOYSA-N.UFQAXYFEDWTKOG-LBPRGKRZSA-N>>UKPCNMUHCSROLE-HSZRJFAPSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[CH2;D2;+0:3]-[N;H0;D3;+0:10]1-[c:9]:[c;H0;D3;+0:8](:[c:7])-[CH2;D2;+0:17]-[O;H0;D2;+0:18]-[c;H0;D3;+0:16]2:[c:15]:[c:14]:[c:13]:[c:12]:[c:11]:2-1)-[N;H0;D3;+0:4](-[C:5])-[C:6]>>Cl-[C@@H;D3;+0:1](-[C:2])-[CH2;D2;+0:3]-[N;H0;D3;+0:4](-[C:5])-[C:6].[c:7]:[c;H0;D3;+0:8]1:[c:9]-[NH;D2;+0:10]-[c:11]2:[c:12]:[c:13]:[c:14]:[c:15]:[c;H0;D3;+0:16]:2-[CH2;D2;+0:17]-[O;H0;D2;+0:18]-1 45ae9a0a1e5f60119235bf4f17f36d95c4f850db398b6e85c6e73b7b90f5cf25 Cl[C@H:11]1[CH2:10][CH2:9][CH2:8][N:7]([CH2:6][CH2:5][c:4]2[cH:3][cH:2][cH:1][cH:29][cH:28]2)[CH2:12]1.[NH:13]1[c:14]2[c:15]([cH:16][cH:17][cH:18][cH:19]2)[O:21][CH2:20][c:22]2[c:23]1[cH:24][cH:25][cH:26][cH:27]2>CS(C)=O.[HH].[Na+]>[cH:1]1[cH:2][cH:3][c:4]([CH2:5][CH2:6][N:7]2[CH2:8][CH2:9][CH2:10][C@@H:11]2[CH2:12][N:13]2[c:14]3[c:15]([cH:16][cH:17][cH:18][cH:19]3)[CH2:20][O:21][c:22]3[c:23]2[cH:24][cH:25][cH:26][cH:27]3)[cH:28][cH:29]1 SLGIBJWUMUWIFH-UHFFFAOYSA-N.STPBBVOLSGWCAI-ZDUSSCGKSA-N>>RWLZBPMJCDSZBT-HSZRJFAPSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[CH2;D2;+0:3]-[N;H0;D3;+0:10]1-[c:9]:[c;H0;D3;+0:8](:[c:7])-[CH2;D2;+0:17]-[O;H0;D2;+0:18]-[c;H0;D3;+0:16]2:[c:15]:[c:14]:[c:13]:[c:12]:[c:11]:2-1)-[N;H0;D3;+0:4](-[C:5])-[C:6]>>Cl-[C@@H;D3;+0:1](-[C:2])-[CH2;D2;+0:3]-[N;H0;D3;+0:4](-[C:5])-[C:6].[c:7]:[c;H0;D3;+0:8]1:[c:9]-[NH;D2;+0:10]-[c:11]2:[c:12]:[c:13]:[c:14]:[c:15]:[c;H0;D3;+0:16]:2-[CH2;D2;+0:17]-[O;H0;D2;+0:18]-1 45ae9a0a1e5f60119235bf4f17f36d95c4f850db398b6e85c6e73b7b90f5cf25 Cl[C@H:15]1[CH2:14][CH2:13][CH2:12][N:11]([CH2:10][CH2:9][c:8]2[cH:7][c:4]([O:5][CH3:6])[c:3]([O:2][CH3:1])[cH:33][cH:32]2)[CH2:16]1.[NH:17]1[c:18]2[c:19]([cH:20][cH:21][cH:22][cH:23]2)[O:25][CH2:24][c:26]2[c:27]1[cH:28][cH:29][cH:30][cH:31]2>CS(C)=O.[HH].[Na+]>[CH3:1][O:2][c:3]1[c:4]([O:5][CH3:6])[cH:7][c:8]([CH2:9][CH2:10][N:11]2[CH2:12][CH2:13][CH2:14][C@@H:15]2[CH2:16][N:17]2[c:18]3[c:19]([cH:20][cH:21][cH:22][cH:23]3)[CH2:24][O:25][c:26]3[c:27]2[cH:28][cH:29][cH:30][cH:31]3)[cH:32][cH:33]1 AHJLNVZKKDZTPA-ZDUSSCGKSA-N.SLGIBJWUMUWIFH-UHFFFAOYSA-N>>QIEHTGALENZILA-HSZRJFAPSA-N 0.0 Unrecognized False stereospecific False [C:5]-[N;H0;D3;+0:4](-[C:6])-[C@H;D3;+0:1](-[C:2])-[CH2;D2;+0:3]-[N;H0;D3;+0:10]1-[c:9]:[c;H0;D3;+0:8](:[c:7])-[CH2;D2;+0:17]-[O;H0;D2;+0:18]-[c;H0;D3;+0:16]2:[c:15]:[c:14]:[c:13]:[c:12]:[c:11]:2-1>>Cl-[C@@H;D3;+0:1](-[C:2])-[CH2;D2;+0:3]-[N;H0;D3;+0:4](-[C:5])-[C:6].[c:7]:[c;H0;D3;+0:8]1:[c:9]-[NH;D2;+0:10]-[c:11]2:[c:12]:[c:13]:[c:14]:[c:15]:[c;H0;D3;+0:16]:2-[CH2;D2;+0:17]-[O;H0;D2;+0:18]-1 45ae9a0a1e5f60119235bf4f17f36d95c4f850db398b6e85c6e73b7b90f5cf25 Cl[C@H:13]1[CH2:12][CH2:11][CH2:10][N:9]([CH2:8][CH2:7][c:6]2[cH:5][cH:4][c:3]([C:2]#[N:1])[cH:31][cH:30]2)[CH2:14]1.[NH:15]1[c:16]2[c:17]([cH:18][cH:19][cH:20][cH:21]2)[O:23][CH2:22][c:24]2[c:25]1[cH:26][cH:27][cH:28][cH:29]2>CS(C)=O.[HH].[Na+]>[N:1]#[C:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][CH2:8][N:9]2[CH2:10][CH2:11][CH2:12][C@@H:13]2[CH2:14][N:15]2[c:16]3[c:17]([cH:18][cH:19][cH:20][cH:21]3)[CH2:22][O:23][c:24]3[c:25]2[cH:26][cH:27][cH:28][cH:29]3)[cH:30][cH:31]1 LDXYAPHWRRUNGC-AWEZNQCLSA-N.SLGIBJWUMUWIFH-UHFFFAOYSA-N>>ZHDIJFGLWLETJT-XMMPIXPASA-N 0.0 Unrecognized False stereospecific False [C:5]-[N;H0;D3;+0:4](-[C:6])-[C@H;D3;+0:1](-[C:2])-[CH2;D2;+0:3]-[N;H0;D3;+0:10]1-[c:9]:[c;H0;D3;+0:8](:[c:7])-[CH2;D2;+0:17]-[O;H0;D2;+0:18]-[c;H0;D3;+0:16]2:[c:15]:[c:14]:[c:13]:[c:12]:[c:11]:2-1>>Cl-[C@@H;D3;+0:1](-[C:2])-[CH2;D2;+0:3]-[N;H0;D3;+0:4](-[C:5])-[C:6].[c:7]:[c;H0;D3;+0:8]1:[c:9]-[NH;D2;+0:10]-[c:11]2:[c:12]:[c:13]:[c:14]:[c:15]:[c;H0;D3;+0:16]:2-[CH2;D2;+0:17]-[O;H0;D2;+0:18]-1 45ae9a0a1e5f60119235bf4f17f36d95c4f850db398b6e85c6e73b7b90f5cf25 Cl[C@@H:13]1[CH2:12][CH2:11][CH2:10][N:9]([CH2:8][CH2:7][c:6]2[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:31][cH:30]2)[CH2:14]1.[NH:15]1[c:16]2[c:17]([cH:18][cH:19][cH:20][cH:21]2)[O:23][CH2:22][c:24]2[c:25]1[cH:26][cH:27][cH:28][cH:29]2>CS(C)=O.[HH].[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][CH2:8][N:9]2[CH2:10][CH2:11][CH2:12][C@H:13]2[CH2:14][N:15]2[c:16]3[c:17]([cH:18][cH:19][cH:20][cH:21]3)[CH2:22][O:23][c:24]3[c:25]2[cH:26][cH:27][cH:28][cH:29]3)[cH:30][cH:31]1 RAUSLMRPEWXFMC-CYBMUJFWSA-N.SLGIBJWUMUWIFH-UHFFFAOYSA-N>>REUFESBNLHXVHN-QHCPKHFHSA-N 0.0 Unrecognized False stereospecific False [C:5]-[N;H0;D3;+0:4](-[C:6])-[C@@H;D3;+0:1](-[C:2])-[CH2;D2;+0:3]-[N;H0;D3;+0:10]1-[c:9]:[c;H0;D3;+0:8](:[c:7])-[CH2;D2;+0:17]-[O;H0;D2;+0:18]-[c;H0;D3;+0:16]2:[c:15]:[c:14]:[c:13]:[c:12]:[c:11]:2-1>>Cl-[C@H;D3;+0:1](-[C:2])-[CH2;D2;+0:3]-[N;H0;D3;+0:4](-[C:5])-[C:6].[c:7]:[c;H0;D3;+0:8]1:[c:9]-[NH;D2;+0:10]-[c:11]2:[c:12]:[c:13]:[c:14]:[c:15]:[c;H0;D3;+0:16]:2-[CH2;D2;+0:17]-[O;H0;D2;+0:18]-1 f7312057e92bf0062bf82aad7053fd03a7f2819f3a02b6f31f448f3847ed9270 Cl[C@@H:15]1[CH2:14][CH2:13][CH2:12][N:11]([CH2:10][CH2:9][c:8]2[cH:7][c:4]([O:5][CH3:6])[c:3]([O:2][CH3:1])[cH:33][cH:32]2)[CH2:16]1.[NH:17]1[c:18]2[c:19]([cH:20][cH:21][cH:22][cH:23]2)[O:25][CH2:24][c:26]2[c:27]1[cH:28][cH:29][cH:30][cH:31]2>CS(C)=O.[HH].[Na+]>[CH3:1][O:2][c:3]1[c:4]([O:5][CH3:6])[cH:7][c:8]([CH2:9][CH2:10][N:11]2[CH2:12][CH2:13][CH2:14][C@H:15]2[CH2:16][N:17]2[c:18]3[c:19]([cH:20][cH:21][cH:22][cH:23]3)[CH2:24][O:25][c:26]3[c:27]2[cH:28][cH:29][cH:30][cH:31]3)[cH:32][cH:33]1 AHJLNVZKKDZTPA-CYBMUJFWSA-N.SLGIBJWUMUWIFH-UHFFFAOYSA-N>>QIEHTGALENZILA-QHCPKHFHSA-N 0.0 Unrecognized False stereospecific False [C:5]-[N;H0;D3;+0:4](-[C:6])-[C@@H;D3;+0:1](-[C:2])-[CH2;D2;+0:3]-[N;H0;D3;+0:10]1-[c:9]:[c;H0;D3;+0:8](:[c:7])-[CH2;D2;+0:17]-[O;H0;D2;+0:18]-[c;H0;D3;+0:16]2:[c:15]:[c:14]:[c:13]:[c:12]:[c:11]:2-1>>Cl-[C@H;D3;+0:1](-[C:2])-[CH2;D2;+0:3]-[N;H0;D3;+0:4](-[C:5])-[C:6].[c:7]:[c;H0;D3;+0:8]1:[c:9]-[NH;D2;+0:10]-[c:11]2:[c:12]:[c:13]:[c:14]:[c:15]:[c;H0;D3;+0:16]:2-[CH2;D2;+0:17]-[O;H0;D2;+0:18]-1 f7312057e92bf0062bf82aad7053fd03a7f2819f3a02b6f31f448f3847ed9270 Cl[C@@H:14]1[CH2:13][CH2:12][CH2:11][N:10]([CH2:9][CH2:8][c:7]2[cH:6][cH:5][cH:4][c:3]([O:2][CH3:1])[cH:31]2)[CH2:15]1.[NH:16]1[c:17]2[c:18]([cH:19][cH:20][cH:21][cH:22]2)[O:24][CH2:23][c:25]2[c:26]1[cH:27][cH:28][cH:29][cH:30]2>CS(C)=O.[HH].[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([CH2:8][CH2:9][N:10]2[CH2:11][CH2:12][CH2:13][C@H:14]2[CH2:15][N:16]2[c:17]3[c:18]([cH:19][cH:20][cH:21][cH:22]3)[CH2:23][O:24][c:25]3[c:26]2[cH:27][cH:28][cH:29][cH:30]3)[cH:31]1 RALPFGRFBVRXIW-CYBMUJFWSA-N.SLGIBJWUMUWIFH-UHFFFAOYSA-N>>UTYQKIGPDVPIGG-QHCPKHFHSA-N 0.0 Unrecognized False stereospecific False [C:5]-[N;H0;D3;+0:4](-[C:6])-[C@@H;D3;+0:1](-[C:2])-[CH2;D2;+0:3]-[N;H0;D3;+0:10]1-[c:9]:[c;H0;D3;+0:8](:[c:7])-[CH2;D2;+0:17]-[O;H0;D2;+0:18]-[c;H0;D3;+0:16]2:[c:15]:[c:14]:[c:13]:[c:12]:[c:11]:2-1>>Cl-[C@H;D3;+0:1](-[C:2])-[CH2;D2;+0:3]-[N;H0;D3;+0:4](-[C:5])-[C:6].[c:7]:[c;H0;D3;+0:8]1:[c:9]-[NH;D2;+0:10]-[c:11]2:[c:12]:[c:13]:[c:14]:[c:15]:[c;H0;D3;+0:16]:2-[CH2;D2;+0:17]-[O;H0;D2;+0:18]-1 f7312057e92bf0062bf82aad7053fd03a7f2819f3a02b6f31f448f3847ed9270 [CH3:1][O:2][C:3](=[O:4])[NH:5][C@@H:6]([CH2:7][S:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[C:15](=[O:16])[CH2:17][Cl:18]>CC(C)O.CC(C)O.CC(C)O.CC(C)O.Cl.[Al+3]>[CH3:1][O:2][C:3](=[O:4])[NH:5][C@@H:6]([CH2:7][S:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[C@H:15]([OH:16])[CH2:17][Cl:18] KSRZEIAFVUNSKV-JTQLQIEISA-N>>GQJNBDOYMVJZRP-WDEREUQCSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [O:1]=[C:2]([NH:3][C@@H:4]([CH2:5][S:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[C:13](=[O:14])[CH2:15][Cl:16])[O:17][CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1>CC(C)O.CC(C)O.CC(C)O.CC(C)O.Cl.[Al+3]>[O:1]=[C:2]([NH:3][C@@H:4]([CH2:5][S:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[C@H:13]([OH:14])[CH2:15][Cl:16])[O:17][CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1 GHOXYLYITXKSDS-INIZCTEOSA-N>>YMCLVAZUQJPLTE-DLBZAZTESA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 O=[C:26]1[C@@:24]2([CH3:25])[CH2:23][CH2:22][C@@H:21]3[c:6]4[cH:5][c:4]([O:3][CH2:2][CH3:1])[c:9]([O:10][CH2:11][c:12]5[cH:13][cH:14][cH:15][cH:16][cH:17]5)[cH:8][c:7]4[CH2:18][CH2:19][C@H:20]3[C@@H:37]2[CH2:36][CH2:35]1.[NH2:27][CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>CC(=O)O.CCCCCC.CCCCCC.ClCCCl.ClCCl.ClCCl.BC#N.[Na+]>[CH3:1][CH2:2][O:3][c:4]1[cH:5][c:6]2[c:7]([cH:8][c:9]1[O:10][CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[CH2:18][CH2:19][C@@H:20]1[C@@H:21]2[CH2:22][CH2:23][C@:24]2([CH3:25])[C@@H:26]([NH:27][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH2:35][CH2:36][C@@H:37]12 NULLVRPYBQTEPV-VBXWPYOKSA-N.WGQKYBSKWIADBV-UHFFFAOYSA-N>>QBYXYJZKEYIADY-XCYRHCRDSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 e2359fb816f6bae4d842f90c85938e1b4e834430a7315ba854d2d2cb224bedee Br[CH2:10][c:11]1[cH:12][c:13]([CH:14]2[CH2:15][CH2:16][CH2:17]2)[cH:18][cH:19][cH:20]1.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:21](=[O:22])[O:23][C@H:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[C@@H:31]1[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C@@H:9]([CH2:10][c:11]2[cH:12][c:13]([CH:14]3[CH2:15][CH2:16][CH2:17]3)[cH:18][cH:19][cH:20]2)[C:21](=[O:22])[O:23][C@H:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[C@@H:31]1[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1 MRUKRSQUUNYOFK-RBUKOAKNSA-N.SEZMSIWBDMMQFM-UHFFFAOYSA-N>>SGPHNFOCZNPMBZ-YTCPBCGMSA-N 0.0 Unrecognized False substrate controlled False [C;D1;H3:3]-[C:4](-[C;D1;H3:5])(-[C;D1;H3:6])-[#8:7]-[C:8](=[O;D1;H0:9])-[#7:10]1-[C:22](-[c:23]2:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:2)-[C:15](-[c:16]2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2)-[#8:14]-[C:12](=[O;D1;H0:13])-[C@@H;D3;+0:11]-1-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[C;D1;H3:3]-[C:4](-[C;D1;H3:5])(-[C;D1;H3:6])-[#8:7]-[C:8](=[O;D1;H0:9])-[#7:10]1-[CH2;D2;+0:11]-[C:12](=[O;D1;H0:13])-[#8:14]-[C:15](-[c:16]2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2)-[C:22]-1-[c:23]1:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:1 28ac4c46adc34074aaf8b84a7a31c542e0ef1b86319757e7951fb0d4e05789ab Br[CH2:10][c:11]1[cH:12][c:13]([Si:14]([CH3:15])([CH3:16])[CH3:17])[cH:18][cH:19][cH:20]1.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:21](=[O:22])[O:23][C@H:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[C@@H:31]1[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>C1CCOC1.C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.O.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C@@H:9]([CH2:10][c:11]2[cH:12][c:13]([Si:14]([CH3:15])([CH3:16])[CH3:17])[cH:18][cH:19][cH:20]2)[C:21](=[O:22])[O:23][C@H:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[C@@H:31]1[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1 DVPGBDZQQANSLM-UHFFFAOYSA-N.MRUKRSQUUNYOFK-RBUKOAKNSA-N>>CWPKABDBSCDRPM-HZFUHODCSA-N 0.0 Unrecognized False substrate controlled False [C;D1;H3:3]-[C:4](-[C;D1;H3:5])(-[C;D1;H3:6])-[#8:7]-[C:8](=[O;D1;H0:9])-[#7:10]1-[C:22](-[c:23]2:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:2)-[C:15](-[c:16]2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2)-[#8:14]-[C:12](=[O;D1;H0:13])-[C@@H;D3;+0:11]-1-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[C;D1;H3:3]-[C:4](-[C;D1;H3:5])(-[C;D1;H3:6])-[#8:7]-[C:8](=[O;D1;H0:9])-[#7:10]1-[CH2;D2;+0:11]-[C:12](=[O;D1;H0:13])-[#8:14]-[C:15](-[c:16]2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2)-[C:22]-1-[c:23]1:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:1 28ac4c46adc34074aaf8b84a7a31c542e0ef1b86319757e7951fb0d4e05789ab O=[C:7]1[CH2:8][C@:9]([OH:10])([CH2:11][OH:12])[C@@H:13]([OH:14])[C@H:15]([OH:16])[C@H:17]1[OH:18].[OH:1][CH2:2][CH:3]([CH2:4][OH:5])[NH2:6]>CN(C)C=O.CO.Cl>[OH:1][CH2:2][CH:3]([CH2:4][OH:5])[NH:6][C@H:7]1[CH2:8][C@:9]([OH:10])([CH2:11][OH:12])[C@@H:13]([OH:14])[C@H:15]([OH:16])[C@H:17]1[OH:18] JCZFNXYQGNLHDQ-VZFHVOOUSA-N.KJJPLEZQSCZCKE-UHFFFAOYSA-N>>FZNCGRZWXLXZSZ-CIQUZCHMSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C:3])-[NH;D2;+0:5]-[C:4]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[C:4]-[NH2;D1;+0:5] a8e56c9c6336cfc3fc1d08acd8bbc81ff9882c9f18f2ba601555112e48f8efac [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C@H:6]1[CH2:7][CH2:8][CH2:9][C:10]2=[CH:11][C:12](=[O:13])[CH2:14][CH2:15][C@:16]12[CH3:17]>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.O.OO.[Li+].[Na+].O>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C@H:6]1[CH2:7][CH2:8][CH2:9][C:10]2=[CH:11][C@@H:12]([OH:13])[CH2:14][CH2:15][C@:16]12[CH3:17] XBPYAATXTZMPBV-ZFWWWQNUSA-N>>UGVDPCLDADJXNC-YDHLFZDLSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[C:1]=[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 3d438d587d87521e60f8311dfb4f60605630598ea592a8172db481577c2b213e [O:1]=[C:2]1[CH2:3][C@H:4]2[CH2:5][C@@H:6]([OH:7])[CH2:8][C@@H:9]12>CO.B.[Na+]>[OH:1][C@H:2]1[CH2:3][C@H:4]2[CH2:5][C@@H:6]([OH:7])[CH2:8][C@@H:9]12 KUGZYEQCRMMNRP-HSUXUTPPSA-N>>OOOSQDPSPSFIKE-GBNDHIKLSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d N[C@H:5]([C@H:3]([CH2:2][CH3:1])[CH3:4])[C:7](=[O:8])[OH:9].O=S(=O)(O)[OH:6]>O.O=C(O)O.O=NO.Cl.[Na+].[Na+].[Na+]>[CH3:1][CH2:2][C@H:3]([CH3:4])[C@@H:5]([OH:6])[C:7](=[O:8])[OH:9] AGPKZVBTJJNPAG-CRCLSJGQSA-N.QAOWNCQODCNURD-UHFFFAOYSA-N>>RILPIWOPNGRASR-CRCLSJGQSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[OH;D1;+0:6])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].O-S(=O)(=O)-[OH;D1;+0:6] 4920681a8525a5b034fc319a7c2107a54bde4d03b9ac25f9a0e33f748697a7a5 C[O:28][C:26]([C@H:24]([C@H:2](O)[CH3:1])[NH:25]C(=O)OCC1c2ccccc2-c2ccccc21)=[O:27].[OH:3][C:4]1([c:5]2[c:6]([F:7])[cH:8][cH:9][cH:10][cH:11]2)[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]2-[c:18]2[c:19]1[cH:20][cH:21][cH:22][cH:23]2>>[CH3:1][C@@H:2]([O:3][C:4]1([c:5]2[c:6]([F:7])[cH:8][cH:9][cH:10][cH:11]2)[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]2-[c:18]2[c:19]1[cH:20][cH:21][cH:22][cH:23]2)[C@H:24]([NH2:25])[C:26](=[O:27])[OH:28] AFQZVOKPCWBPHW-XIKOKIGWSA-N.ZJGOSVOUJODZHX-UHFFFAOYSA-N>>RZRLSUCGHCYUKL-SZNDQCEHSA-N 0.0 Unrecognized False stereospecific False [C:8]-[O;H0;D2;+0:9]-[C@H;D3;+0:6](-[C;D1;H3:7])-[C:4](-[NH2;D1;+0:5])-[C:2](=[O;D1;H0:3])-[OH;D1;+0:1]>>C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[C:4](-[NH;D2;+0:5]-C(=O)-O-C-C1-c2:c:c:c:c:c:2-c2:c:c:c:c:c:2-1)-[C@H;D3;+0:6](-O)-[C;D1;H3:7].[C:8]-[OH;D1;+0:9] 77d85a1ecf62f2b310b58aba499fc7d0c3349dd94024b34f7a917191c049ecea C[O:27][C:25]([C@H:23]([C@H:2](O)[CH3:1])[NH:24]C(=O)OCC1c2ccccc2-c2ccccc21)=[O:26].[OH:3][C:4]1([c:5]2[cH:6][cH:7][c:8]([Cl:9])[s:10]2)[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2-[c:17]2[c:18]1[cH:19][cH:20][cH:21][cH:22]2>>[CH3:1][C@@H:2]([O:3][C:4]1([c:5]2[cH:6][cH:7][c:8]([Cl:9])[s:10]2)[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]2-[c:17]2[c:18]1[cH:19][cH:20][cH:21][cH:22]2)[C@H:23]([NH2:24])[C:25](=[O:26])[OH:27] AFQZVOKPCWBPHW-XIKOKIGWSA-N.PKANDKCXUOZNAX-UHFFFAOYSA-N>>QHTSWIFULPSORT-BLVKFPJESA-N 0.0 Unrecognized False stereospecific False [C:8]-[O;H0;D2;+0:9]-[C@H;D3;+0:6](-[C;D1;H3:7])-[C:4](-[NH2;D1;+0:5])-[C:2](=[O;D1;H0:3])-[OH;D1;+0:1]>>C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[C:4](-[NH;D2;+0:5]-C(=O)-O-C-C1-c2:c:c:c:c:c:2-c2:c:c:c:c:c:2-1)-[C@H;D3;+0:6](-O)-[C;D1;H3:7].[C:8]-[OH;D1;+0:9] 77d85a1ecf62f2b310b58aba499fc7d0c3349dd94024b34f7a917191c049ecea C[O:32][C:30]([C@H:28]([C@H:2](O)[CH3:1])[NH:29]C(=O)OCC1c2ccccc2-c2ccccc21)=[O:31].[OH:3][C:4]1([c:5]2[c:6](-[c:7]3[cH:8][cH:9][cH:10][cH:11][cH:12]3)[cH:13][cH:14][s:15]2)[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2-[c:22]2[c:23]1[cH:24][cH:25][cH:26][cH:27]2>O=C(O)C(F)(F)F.O=S(=O)(O)O>[CH3:1][C@@H:2]([O:3][C:4]1([c:5]2[c:6](-[c:7]3[cH:8][cH:9][cH:10][cH:11][cH:12]3)[cH:13][cH:14][s:15]2)[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2-[c:22]2[c:23]1[cH:24][cH:25][cH:26][cH:27]2)[C@H:28]([NH2:29])[C:30](=[O:31])[OH:32] AFQZVOKPCWBPHW-XIKOKIGWSA-N.QMVYZGZKFFTTSL-UHFFFAOYSA-N>>GTLJGDPAQKIAOW-OSPHWJPCSA-N 0.0 Unrecognized False stereospecific False [C:8]-[O;H0;D2;+0:9]-[C@H;D3;+0:6](-[C;D1;H3:7])-[C:4](-[NH2;D1;+0:5])-[C:2](=[O;D1;H0:3])-[OH;D1;+0:1]>>C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[C:4](-[NH;D2;+0:5]-C(=O)-O-C-C1-c2:c:c:c:c:c:2-c2:c:c:c:c:c:2-1)-[C@H;D3;+0:6](-O)-[C;D1;H3:7].[C:8]-[OH;D1;+0:9] 77d85a1ecf62f2b310b58aba499fc7d0c3349dd94024b34f7a917191c049ecea C[O:31][C:29]([C@H:27]([C@H:2](O)[CH3:1])[NH:28]C(=O)OCC1c2ccccc2-c2ccccc21)=[O:30].[OH:3][C:4]1([c:5]2[c:6]([CH:7]3[CH2:8][CH2:9][CH2:10][CH2:11]3)[cH:12][cH:13][s:14]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2-[c:21]2[c:22]1[cH:23][cH:24][cH:25][cH:26]2>O=C(O)C(F)(F)F.O=S(=O)(O)O>[CH3:1][C@@H:2]([O:3][C:4]1([c:5]2[c:6]([CH:7]3[CH2:8][CH2:9][CH2:10][CH2:11]3)[cH:12][cH:13][s:14]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2-[c:21]2[c:22]1[cH:23][cH:24][cH:25][cH:26]2)[C@H:27]([NH2:28])[C:29](=[O:30])[OH:31] AFQZVOKPCWBPHW-XIKOKIGWSA-N.PKQMAZXETPVAJX-UHFFFAOYSA-N>>QMXITZYNCGUANT-MWTRTKDXSA-N 0.0 Unrecognized False stereospecific False [C:8]-[O;H0;D2;+0:9]-[C@H;D3;+0:6](-[C;D1;H3:7])-[C:4](-[NH2;D1;+0:5])-[C:2](=[O;D1;H0:3])-[OH;D1;+0:1]>>C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[C:4](-[NH;D2;+0:5]-C(=O)-O-C-C1-c2:c:c:c:c:c:2-c2:c:c:c:c:c:2-1)-[C@H;D3;+0:6](-O)-[C;D1;H3:7].[C:8]-[OH;D1;+0:9] 77d85a1ecf62f2b310b58aba499fc7d0c3349dd94024b34f7a917191c049ecea C[O:33][C:31]([C@H:29]([C@H:2](O)[CH3:1])[NH:30]C(=O)OCC1c2ccccc2-c2ccccc21)=[O:32].[OH:3][C:4]1([c:5]2[c:6](-[c:7]3[cH:8][cH:9][c:10]([F:11])[cH:12][cH:13]3)[cH:14][cH:15][s:16]2)[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2-[c:23]2[c:24]1[cH:25][cH:26][cH:27][cH:28]2>O=C(O)C(F)(F)F.O=S(=O)(O)O>[CH3:1][C@@H:2]([O:3][C:4]1([c:5]2[c:6](-[c:7]3[cH:8][cH:9][c:10]([F:11])[cH:12][cH:13]3)[cH:14][cH:15][s:16]2)[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2-[c:23]2[c:24]1[cH:25][cH:26][cH:27][cH:28]2)[C@H:29]([NH2:30])[C:31](=[O:32])[OH:33] AFQZVOKPCWBPHW-XIKOKIGWSA-N.DZINMXZUBGHYOK-UHFFFAOYSA-N>>SNGAONQDEPQZAB-GYCJOSAFSA-N 0.0 Unrecognized False stereospecific False [C:8]-[O;H0;D2;+0:9]-[C@H;D3;+0:6](-[C;D1;H3:7])-[C:4](-[NH2;D1;+0:5])-[C:2](=[O;D1;H0:3])-[OH;D1;+0:1]>>C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[C:4](-[NH;D2;+0:5]-C(=O)-O-C-C1-c2:c:c:c:c:c:2-c2:c:c:c:c:c:2-1)-[C@H;D3;+0:6](-O)-[C;D1;H3:7].[C:8]-[OH;D1;+0:9] 77d85a1ecf62f2b310b58aba499fc7d0c3349dd94024b34f7a917191c049ecea [CH3:1][C@H:2]([CH2:3][O:4][Si:5]([CH3:6])([CH3:7])[C:8]([CH3:9])([CH3:10])[CH3:11])[C@H:12]1[CH2:13][CH2:14][C@H:15]2[C@@H:16]3[CH2:17][CH:18]=[C:19]4[C:20]([CH3:21])([CH3:22])[C:23](=[O:24])[CH2:25][CH2:26][C@:27]4([CH3:28])[C@H:29]3[CH2:30][CH2:31][C@:32]12[CH3:33]>C1CCOC1.[Al+3].[HH].[HH].[HH].[HH].[Li+]>[CH3:1][C@H:2]([CH2:3][O:4][Si:5]([CH3:6])([CH3:7])[C:8]([CH3:9])([CH3:10])[CH3:11])[C@H:12]1[CH2:13][CH2:14][C@H:15]2[C@@H:16]3[CH2:17][CH:18]=[C:19]4[C:20]([CH3:21])([CH3:22])[C@@H:23]([OH:24])[CH2:25][CH2:26][C@:27]4([CH3:28])[C@H:29]3[CH2:30][CH2:31][C@:32]12[CH3:33] VEVSVLHLRGIFNG-BAUYHJMQSA-N>>SKGCYHYEVKYJNU-PFRFYYKUSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[C:1]=[C:2]-[C:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] a151f5e9b802151b9faa8b0e95d37e4b20ecdf5020ffa32b2705f9b7a2e484eb O=[C:11]([CH3:12])[CH2:13][CH2:14][c:15]1[c:16]([Cl:17])[cH:18][cH:19][cH:20][cH:21]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([C@@H:8]([CH3:9])[NH2:10])[cH:22]1>CC(C)O.CC(C)O.CC(C)O.CC(C)O.CO.ClC(Cl)Cl.O=Cc1ccccc1Cl.BC#N.[Na+].[Ti+4]>[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([C@@H:8]([CH3:9])[NH:10][C@H:11]([CH3:12])[CH2:13][CH2:14][c:15]2[c:16]([Cl:17])[cH:18][cH:19][cH:20][cH:21]2)[cH:22]1 CJWGCBRQAHCVHW-SSDOTTSWSA-N.IODZQCDPJUFKQW-UHFFFAOYSA-N>>XKZBLEDHSSRLFX-HUUCEWRRSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C;D1;H3:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 e2359fb816f6bae4d842f90c85938e1b4e834430a7315ba854d2d2cb224bedee O=[C:11]([CH3:12])[CH2:13][CH2:14][c:15]1[cH:16][c:17]([C:18]([F:19])([F:20])[F:21])[cH:22][cH:23][cH:24]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([C@@H:8]([CH3:9])[NH2:10])[cH:25]1>CC(C)O.CC(C)O.CC(C)O.CC(C)O.CO.ClC(Cl)Cl.O=Cc1cccc(C(F)(F)F)c1.BC#N.[Na+].[Ti+4]>[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([C@@H:8]([CH3:9])[NH:10][C@H:11]([CH3:12])[CH2:13][CH2:14][c:15]2[cH:16][c:17]([C:18]([F:19])([F:20])[F:21])[cH:22][cH:23][cH:24]2)[cH:25]1 CJWGCBRQAHCVHW-SSDOTTSWSA-N.MIWTUNDDNMDLDF-UHFFFAOYSA-N>>WUJGBMFLRSAJBI-HUUCEWRRSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C;D1;H3:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 e2359fb816f6bae4d842f90c85938e1b4e834430a7315ba854d2d2cb224bedee O[C@@H:7]([CH2:8][CH2:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[c:17]1[c:18]([CH3:19])[cH:20][cH:21][cH:22][cH:23]1.[CH3:1][C:2](=[O:3])[c:4]1[c:5]([OH:6])[cH:24][c:25]([O:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][n:32][cH:33]2)[cH:34][cH:35]1>C1CCOC1.CC(C)OC(=O)N=NC(=O)OC(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][C:2](=[O:3])[c:4]1[c:5]([O:6][C@H:7]([CH2:8][CH2:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[c:17]2[c:18]([CH3:19])[cH:20][cH:21][cH:22][cH:23]2)[cH:24][c:25]([O:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][n:32][cH:33]2)[cH:34][cH:35]1 GDNXDLQAOGCMDD-ZDUSSCGKSA-N.RMRQVNBLYBDWDT-UHFFFAOYSA-N>>JUVUVFCHEBPXLS-AREMUKBSSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de [O:1]=[C:2]1[CH2:3][CH2:4][N:5]([CH2:6][c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[CH2:13]1>O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=P(O)(O)O.[Na+].O>[OH:1][C@H:2]1[CH2:3][CH2:4][N:5]([CH2:6][c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[CH2:13]1 DHGMDHQNUNRMIN-UHFFFAOYSA-N>>YQMXOIAIYXXXEE-NSHDSACASA-N 0.0 Unrecognized False reagent controlled False [#7:1]-[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 24a10c55c777a445640c9a082c0e3e06b05e2ae67a251c9c99a2481cce24d018 [CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C:7](=[O:8])[CH2:9][Cl:10]>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na+].O>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C@H:7]([OH:8])[CH2:9][Cl:10] OHLRLMWUFVDREV-UHFFFAOYSA-N>>ZAJNMXDBJKCCAT-YFKPBYRVSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9] 811c4d40f644988e478ae44f96428cdb9344f188862e684f75c42e22295e3173 [CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C:7](=[O:8])[CH2:9][Br:10]>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na+].O>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C@H:7]([OH:8])[CH2:9][Br:10] MGDWUTQKXCZNAJ-UHFFFAOYSA-N>>AIZRKZQHJNWBEI-YFKPBYRVSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9] 811c4d40f644988e478ae44f96428cdb9344f188862e684f75c42e22295e3173 [CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C:7](=[O:8])[CH2:9][I:10]>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na+].O>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C@H:7]([OH:8])[CH2:9][I:10] AQMRHANBRLVSLM-UHFFFAOYSA-N>>SMWBHOKQXGBYJN-YFKPBYRVSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9] 811c4d40f644988e478ae44f96428cdb9344f188862e684f75c42e22295e3173 [CH3:1][O:2][C:3](=[O:4])[CH2:5][C:6](=[O:7])[CH2:8][Cl:9]>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na+].O>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@H:6]([OH:7])[CH2:8][Cl:9] HFLMYYLFSNEOOT-UHFFFAOYSA-N>>WMRINGSAVOPXTE-BYPYZUCNSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8] 6d22697717f18276a46a829d2506058ec35ca7c95a696f7fd2a8edc46f88faeb [CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C:7](=[O:8])[CH2:9][OH:10]>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na+].O>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C@H:7]([OH:8])[CH2:9][OH:10] NZJBBKAVCWXTPT-UHFFFAOYSA-N>>VKYSMCMNKCLRND-YFKPBYRVSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9] 811c4d40f644988e478ae44f96428cdb9344f188862e684f75c42e22295e3173 [O:1]=[C:2]1[CH2:3][CH2:4][N:5]([CH2:6][c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[CH2:13]1>O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=P(O)(O)O.[Na+].O>[OH:1][C@H:2]1[CH2:3][CH2:4][N:5]([CH2:6][c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[CH2:13]1 DHGMDHQNUNRMIN-UHFFFAOYSA-N>>YQMXOIAIYXXXEE-NSHDSACASA-N 0.0 Unrecognized False reagent controlled True [#7:1]-[C:2]-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] c7141aa1a34c4e147cfd9de52aa8c78fb066c1910e339995b420913d91a2e11a [CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C:7](=[O:8])[CH2:9][Cl:10]>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na+].O>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C@H:7]([OH:8])[CH2:9][Cl:10] OHLRLMWUFVDREV-UHFFFAOYSA-N>>ZAJNMXDBJKCCAT-YFKPBYRVSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9] bbb21099eb294f3913c12c84d48034ae11437e90cc44c8c1465c22111b52afc6 [CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C:7](=[O:8])[CH2:9][Br:10]>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na+].O>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C@H:7]([OH:8])[CH2:9][Br:10] MGDWUTQKXCZNAJ-UHFFFAOYSA-N>>AIZRKZQHJNWBEI-YFKPBYRVSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9] bbb21099eb294f3913c12c84d48034ae11437e90cc44c8c1465c22111b52afc6 [CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C:7](=[O:8])[CH2:9][I:10]>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na+].O>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C@H:7]([OH:8])[CH2:9][I:10] AQMRHANBRLVSLM-UHFFFAOYSA-N>>SMWBHOKQXGBYJN-YFKPBYRVSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9] bbb21099eb294f3913c12c84d48034ae11437e90cc44c8c1465c22111b52afc6 [CH3:1][O:2][C:3](=[O:4])[CH2:5][C:6](=[O:7])[CH2:8][Cl:9]>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na+].O>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@H:6]([OH:7])[CH2:8][Cl:9] HFLMYYLFSNEOOT-UHFFFAOYSA-N>>WMRINGSAVOPXTE-BYPYZUCNSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8] 923f08f73bcf231a4469a783b476454dfc996b66619f88800e0679ca088598ce [CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C:7](=[O:8])[CH2:9][OH:10]>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na+].O>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C@H:7]([OH:8])[CH2:9][OH:10] NZJBBKAVCWXTPT-UHFFFAOYSA-N>>VKYSMCMNKCLRND-YFKPBYRVSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9] bbb21099eb294f3913c12c84d48034ae11437e90cc44c8c1465c22111b52afc6 N[C@H:5]([CH2:4][CH2:3][C:2](=[O:1])[O:10][CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[C:7](=[O:8])[OH:9].[BrH:6]>O=NO.O=S(=O)(O)O.[K+].[Na+]>[O:1]=[C:2]([CH2:3][CH2:4][C@@H:5]([Br:6])[C:7](=[O:8])[OH:9])[O:10][CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1 BGGHCRNCRWQABU-SNVBAGLBSA-N.CPELXLSAUQHCOX-UHFFFAOYSA-N>>IHFVLLMHOWMWGA-SNVBAGLBSA-N 0.0 Unrecognized False stereospecific False [Br;H0;D1;+0:6]-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[BrH;D0;+0:6] ac8d916db1d5034b837f02d3a0ad72568c1299c3b09dba63fc44391a52faf6f6 N[C@H:4]([C:2](=[O:1])[OH:3])[CH2:6][CH:7]1[CH2:8][CH2:9]1.[OH2:5]>O=NO.O=S(=O)(O)O.Cl.[Na+].[Na+]>[O:1]=[C:2]([OH:3])[C@@H:4]([OH:5])[CH2:6][CH:7]1[CH2:8][CH2:9]1 XGUXJMWPVJQIHI-YFKPBYRVSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>URABTPLPEKSFHH-YFKPBYRVSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[OH;D1;+0:6])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[OH2;D0;+0:6] 3b2930445911a30f6eef1993b611280cb26ac438bc2995944b0d46cd68ec10e9 [CH3:1][C@H:2]([CH:3]1[CH2:4][CH2:5][CH2:6]1)[C:7](=[O:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.CCOC(C)=O.O=C(O)O.[Li+].[Na+]>[CH3:1][C@H:2]([CH:3]1[CH2:4][CH2:5][CH2:6]1)[C@@H:7]([OH:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1 YRQBKXJYJNGYCY-SNVBAGLBSA-N>>ZANRFXCDLJDLSN-ZWNOBZJWSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][C@H:2]([O:3][Si:4]([CH3:5])([CH3:6])[C:7]([CH3:8])([CH3:9])[CH3:10])[C@H:11]1[CH2:12][CH2:13][C@H:14]2[C@@H:15]3[CH2:16][CH:17]=[C:18]4[C:19]([CH3:20])([CH3:21])[C:22](=[O:23])[CH2:24][CH2:25][C@:26]4([CH3:27])[C@H:28]3[CH2:29][CH2:30][C@:31]12[CH3:32]>C1CCOC1.[Al+3].[HH].[HH].[HH].[HH].[Li+]>[CH3:1][C@H:2]([O:3][Si:4]([CH3:5])([CH3:6])[C:7]([CH3:8])([CH3:9])[CH3:10])[C@H:11]1[CH2:12][CH2:13][C@H:14]2[C@@H:15]3[CH2:16][CH:17]=[C:18]4[C:19]([CH3:20])([CH3:21])[C@@H:22]([OH:23])[CH2:24][CH2:25][C@:26]4([CH3:27])[C@H:28]3[CH2:29][CH2:30][C@:31]12[CH3:32] PWUJMTHBKWWYKR-KYAKHZSUSA-N>>ZEPKHLVDOKMOQK-QCRYKXQTSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[C:1]=[C:2]-[C:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] a151f5e9b802151b9faa8b0e95d37e4b20ecdf5020ffa32b2705f9b7a2e484eb [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C:17](=[O:18])[CH2:19][Cl:20]>Cl>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@H:17]([OH:18])[CH2:19][Cl:20] JAKDNFBATYIEIE-LBPRGKRZSA-N>>GFGQSTIUFXHAJS-QWHCGFSZSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 O[C@H:13]([C:14](=[O:15])[O:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[CH:24]1[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]1.[CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH2:9][C@H:10]1[CH2:11][NH:12][CH2:30][C@@H:31]1[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>CCN(C(C)C)C(C)C.Cc1cccc(C)n1.ClCCl.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F>[CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH2:9][C@H:10]1[CH2:11][N:12]([C@@H:13]([C:14](=[O:15])[O:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[CH:24]2[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]2)[CH2:30][C@@H:31]1[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1 SSPIFGIISLWFRK-AWEZNQCLSA-N.WPUCYMNXZNJBOO-HZPDHXFCSA-N>>IXMSTDMIARHKSX-IDZRBWSNSA-N 0.0 Unrecognized False stereospecific False [C:13]-[N;H0;D3;+0:14](-[C:15])-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[c:7]1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1>>O-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[c:7]1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1.[C:13]-[NH;D2;+0:14]-[C:15] be5f90ce63db5f7a568dc8d61f48561478077ff0e908212acb0c0c4c051d3e2e O[C@@H:2]([CH3:1])[C:3](=[O:4])[O:5][CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[NH:13]1[CH2:14][C@H:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[C@@H:22]([CH2:23][O:24][Si:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:32]1>>[CH3:1][C@H:2]([C:3](=[O:4])[O:5][CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[N:13]1[CH2:14][C@H:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[C@@H:22]([CH2:23][O:24][Si:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:32]1 WPUCYMNXZNJBOO-HZPDHXFCSA-N.ZYTLPUIDJRKAAM-QMMMGPOBSA-N>>BNPLDILIYLCXBT-NQHRYMMQSA-N 0.0 Unrecognized False stereospecific False [C:13]-[N;H0;D3;+0:14](-[C:15])-[C@H;D3;+0:1](-[C;D1;H3:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[c:7]1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1>>O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[c:7]1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1.[C:13]-[NH;D2;+0:14]-[C:15] be5f90ce63db5f7a568dc8d61f48561478077ff0e908212acb0c0c4c051d3e2e O[C@@H:13]([CH2:14][CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19]1)[C:20](=[O:21])[O:22][CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH2:9][C@H:10]1[CH2:11][NH:12][CH2:30][C@@H:31]1[c:32]1[cH:33][c:34]([F:35])[cH:36][cH:37][cH:38]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH2:9][C@H:10]1[CH2:11][N:12]([C@H:13]([CH2:14][CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19]2)[C:20](=[O:21])[O:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:30][C@@H:31]1[c:32]1[cH:33][c:34]([F:35])[cH:36][cH:37][cH:38]1 AGFYZBWOBAYARJ-AWEZNQCLSA-N.QGYQAWTVDIEPPQ-GDBMZVCRSA-N>>WTHOIPKBLOSPPK-MJLPRTPSSA-N 0.0 Unrecognized False stereospecific False [C:13]-[N;H0;D3;+0:14](-[C:15])-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[c:7]1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1>>O-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C:6]-[c:7]1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1.[C:13]-[NH;D2;+0:14]-[C:15] be5f90ce63db5f7a568dc8d61f48561478077ff0e908212acb0c0c4c051d3e2e [CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[c:6]4[c:7]([cH:8][c:9]([OH:10])[cH:11][cH:12]4)[CH2:13][C@@H:14]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][N:20]4[CH2:21][CH2:22][CH2:23][C@H:24]4[CH2:25][S:26][CH2:27][CH2:28][CH2:29][C:30]([F:31])([F:32])[C:33]([F:34])([F:35])[F:36])[C@H:37]3[C@@H:38]1[CH2:39][CH2:40][C:41]2=[O:42]>B.[Na+]>[CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[c:6]4[c:7]([cH:8][c:9]([OH:10])[cH:11][cH:12]4)[CH2:13][C@@H:14]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][N:20]4[CH2:21][CH2:22][CH2:23][C@H:24]4[CH2:25][S:26][CH2:27][CH2:28][CH2:29][C:30]([F:31])([F:32])[C:33]([F:34])([F:35])[F:36])[C@H:37]3[C@@H:38]1[CH2:39][CH2:40][C@@H:41]2[OH:42] YOVLMZRSKMAWLY-RYPWWZEFSA-N>>JZOBBSQIZRSUMS-JTKYJCFJSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 O[C@H:7]([CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])[CH3:8].[OH:9][c:10]1[c:11]([C:12]#[N:13])[cH:14][cH:15][cH:16][cH:17]1>CCCCCCCCOC(=O)c1ccc(-c2ccc(OC(=O)OC)cc2)cc1.CCOC(=O)/N=N/C(=O)OCC.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C@@H:7]([CH3:8])[O:9][c:10]1[c:11]([C:12]#[N:13])[cH:14][cH:15][cH:16][cH:17]1 CHZCERSEMVWNHL-UHFFFAOYSA-N.SJWFXCIHNDVPSH-QMMMGPOBSA-N>>IAYKDAOLLDOTDO-CYBMUJFWSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[OH;D1;+0:4]-[c:5] 1fb8966dfb48b018f92f0015dcbbb931b65d0347fa8b3dc61ba757db2f947ea3 [CH3:1][C@:2]12[CH2:3][C@H:4]([c:5]3[cH:6][cH:7][c:8]([O:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][Cl:16])[cH:17][cH:18]3)[C:19]3=[C:20]4[C:21](=[CH:22][C:23](=[O:24])[CH2:25][CH2:26]4)[CH2:27][CH2:28][C@H:29]3[C@@H:30]1[CH2:31][CH2:32][C:33]2=[O:34]>CC(=O)Br.CC(=O)OC(C)=O>[CH3:1][C@:2]12[CH2:3][C@H:4]([c:5]3[cH:6][cH:7][c:8]([O:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][Cl:16])[cH:17][cH:18]3)[C@@H:19]3[c:20]4[c:21]([cH:22][c:23]([OH:24])[cH:25][cH:26]4)[CH2:27][CH2:28][C@H:29]3[C@@H:30]1[CH2:31][CH2:32][C:33]2=[O:34] AZRZELHSHNURQF-OWWCKCFISA-N>>JBRRKYXYQPDCNU-RPZAWWRESA-N 0.0 Unrecognized False substrate controlled False [C:1]-[c;H0;D3;+0:2]1:[cH;D2;+0:3]:[c;H0;D3;+0:4](-[OH;D1;+0:5]):[cH;D2;+0:6]:[cH;D2;+0:7]:[c;H0;D3;+0:8]:1-[C@H;D3;+0:9](-[C:10])-[C:11]>>[C:1]-[C;H0;D3;+0:2]1=[CH;D2;+0:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[CH2;D2;+0:6]-[CH2;D2;+0:7]-[C;H0;D3;+0:8]-1=[C;H0;D3;+0:9](-[C:10])-[C:11] b11d93811089da6c475fad09d85a16e74f7d0e6baeb30f56b8fe06b1da24c2e5 [CH3:1][C@:2]12[CH2:3][C@H:4]([c:5]3[cH:6][cH:7][c:8]([O:9][CH2:10][CH2:11][CH2:12][CH2:13][Cl:14])[cH:15][cH:16]3)[C:17]3=[C:18]4[C:19](=[CH:20][C:21](=[O:22])[CH2:23][CH2:24]4)[CH2:25][CH2:26][C@H:27]3[C@@H:28]1[CH2:29][CH2:30][C:31]2=[O:32]>CC(=O)Br.CC(=O)OC(C)=O>[CH3:1][C@:2]12[CH2:3][C@H:4]([c:5]3[cH:6][cH:7][c:8]([O:9][CH2:10][CH2:11][CH2:12][CH2:13][Cl:14])[cH:15][cH:16]3)[C@@H:17]3[c:18]4[c:19]([cH:20][c:21]([OH:22])[cH:23][cH:24]4)[CH2:25][CH2:26][C@H:27]3[C@@H:28]1[CH2:29][CH2:30][C:31]2=[O:32] BCNQSLYFUXCAJY-GIBNYFNHSA-N>>WWVITSFITMORBH-FRINSPPISA-N 0.0 Unrecognized False substrate controlled False [C:1]-[c;H0;D3;+0:2]1:[cH;D2;+0:3]:[c;H0;D3;+0:4](-[OH;D1;+0:5]):[cH;D2;+0:6]:[cH;D2;+0:7]:[c;H0;D3;+0:8]:1-[C@H;D3;+0:9](-[C:10])-[C:11]>>[C:1]-[C;H0;D3;+0:2]1=[CH;D2;+0:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[CH2;D2;+0:6]-[CH2;D2;+0:7]-[C;H0;D3;+0:8]-1=[C;H0;D3;+0:9](-[C:10])-[C:11] b11d93811089da6c475fad09d85a16e74f7d0e6baeb30f56b8fe06b1da24c2e5 [CH3:1][C:2](=[O:3])[O:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C@@H:10]1[CH2:11][c:12]2[c:13]([cH:14][cH:15][c:16]([OH:17])[cH:18]2)[C@H:19]2[CH2:20][CH2:21][C@:22]3([CH3:23])[C:24](=[O:25])[CH2:26][CH2:27][C@H:28]3[C@H:29]12>C1CCOC1.O.B.[Na+]>[CH3:1][C:2](=[O:3])[O:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C@@H:10]1[CH2:11][c:12]2[c:13]([cH:14][cH:15][c:16]([OH:17])[cH:18]2)[C@H:19]2[CH2:20][CH2:21][C@:22]3([CH3:23])[C@@H:24]([OH:25])[CH2:26][CH2:27][C@H:28]3[C@H:29]12 UUHZQOGLTPATGV-PQSSVSIVSA-N>>YUMXIDNHORHOGS-UHINFALASA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][CH2:2][C@@H:3]1[CH2:4][c:5]2[c:6]([cH:7][cH:8][c:9]([O:10][CH3:11])[cH:12]2)[C@H:13]2[CH2:14][CH2:15][C@@:16]3([CH3:17])[C:18](=[CH:19][CH2:20][C:21]3=[O:22])[C@H:23]12>CO.ClCCl.B.[Na+].[Na+].O>[CH3:1][CH2:2][C@@H:3]1[CH2:4][c:5]2[c:6]([cH:7][cH:8][c:9]([O:10][CH3:11])[cH:12]2)[C@H:13]2[CH2:14][CH2:15][C@@:16]3([CH3:17])[C:18](=[CH:19][CH2:20][C@@H:21]3[OH:22])[C@H:23]12 IVLCZNOFWJSCNV-PUZMVAROSA-N>>RMYZYLACBZPCEB-RDZBXBSQSA-N 0.0 Unrecognized False substrate controlled False [OH;D1;+0:1]-[C@H;D3;+0:2]1-[C:3]-[C:4]=[C:5]-[C:6]-1>>[O;H0;D1;+0:1]=[C;H0;D3;+0:2]1-[C:3]-[C:4]=[C:5]-[C:6]-1 36ad23a4990d3c272bd8d1221f1c5f7904c4ba0bf8e674016a00854fe7a1c99c [CH2:1]=[CH:2][C@@H:3]1[CH2:4][c:5]2[c:6]([cH:7][cH:8][c:9]([O:10][CH3:11])[cH:12]2)[C@H:13]2[CH2:14][CH2:15][C@@:16]3([CH3:17])[C:18](=[CH:19][CH2:20][C:21]3=[O:22])[C@H:23]12>CCO.O>[CH2:1]=[CH:2][C@@H:3]1[CH2:4][c:5]2[c:6]([cH:7][cH:8][c:9]([O:10][CH3:11])[cH:12]2)[C@H:13]2[CH2:14][CH2:15][C@@:16]3([CH3:17])[C:18](=[CH:19][CH2:20][C@@H:21]3[OH:22])[C@H:23]12 XFPDSVCWBBTTQF-PUZMVAROSA-N>>YZBMRJWCZQEFPJ-RDZBXBSQSA-N 0.0 Unrecognized False substrate controlled False [OH;D1;+0:1]-[C@H;D3;+0:2]1-[C:3]-[C:4]=[C:5]-[C:6]-1>>[O;H0;D1;+0:1]=[C;H0;D3;+0:2]1-[C:3]-[C:4]=[C:5]-[C:6]-1 36ad23a4990d3c272bd8d1221f1c5f7904c4ba0bf8e674016a00854fe7a1c99c [CH3:1][CH2:2][C@@H:3]1[CH2:4][C:5]2=[CH:6][C:7](=[O:8])[CH2:9][CH2:10][C@@H:11]2[C@H:12]2[CH2:13][CH2:14][C@@:15]3([CH3:16])[C:17](=[CH:18][CH2:19][C@@H:20]3[OH:21])[C@H:22]12>C1CCOC1.N.Cl.[Li].N>[CH3:1][CH2:2][C@@H:3]1[CH2:4][C@H:5]2[CH2:6][C:7](=[O:8])[CH2:9][CH2:10][C@@H:11]2[C@H:12]2[CH2:13][CH2:14][C@@:15]3([CH3:16])[C:17](=[CH:18][CH2:19][C@@H:20]3[OH:21])[C@H:22]12 HOZITFWTDHEPCU-WKCJJHKESA-N>>YHQHWPBIHJGVEU-SMRUAWDESA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[CH2;D2;+0:4]-[C:5]=[O;D1;H0:6]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[CH;D2;+0:4]-[C:5]=[O;D1;H0:6] 9182058add2a31e71953c59da91495e91a73b68dc14a14f3396d80a99aae5acd Br[CH2:11][c:10]1[cH:9][cH:8][cH:7][c:6]([CH:3]([CH2:2][CH3:1])[CH2:4][CH3:5])[cH:38]1.[CH2:12]1[C:13](=[O:14])[O:15][C@H:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[C@H:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[N:30]1[C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[CH3:1][CH2:2][CH:3]([CH2:4][CH3:5])[c:6]1[cH:7][cH:8][cH:9][c:10]([CH2:11][C@H:12]2[C:13](=[O:14])[O:15][C@H:16]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[C@H:23]([c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[N:30]2[C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[cH:38]1 MRUKRSQUUNYOFK-RBUKOAKNSA-N.NCXQDBUADDSDIO-UHFFFAOYSA-N>>CIKNMPXTKATKDZ-OIFRRMEBSA-N 0.0 Unrecognized False substrate controlled False [C;D1;H3:3]-[C:4](-[C;D1;H3:5])(-[C;D1;H3:6])-[#8:7]-[C:8](=[O;D1;H0:9])-[#7:10]1-[C:22](-[c:23]2:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:2)-[C:15](-[c:16]2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2)-[#8:14]-[C:12](=[O;D1;H0:13])-[C@@H;D3;+0:11]-1-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[C;D1;H3:3]-[C:4](-[C;D1;H3:5])(-[C;D1;H3:6])-[#8:7]-[C:8](=[O;D1;H0:9])-[#7:10]1-[CH2;D2;+0:11]-[C:12](=[O;D1;H0:13])-[#8:14]-[C:15](-[c:16]2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2)-[C:22]-1-[c:23]1:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:1 28ac4c46adc34074aaf8b84a7a31c542e0ef1b86319757e7951fb0d4e05789ab I[CH2:6][CH:7]1[CH2:8][CH2:9][CH:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[CH2:17][CH2:18]1.[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:19]([CH3:20])[OH:21]>C1CCOC1.CC(C)NC(C)C.CC(C)NC(C)C.CN(C)P(=O)(N(C)C)N(C)C.[Li+].[Li]CCCC>[CH3:1][O:2][C:3](=[O:4])[C@H:5]([CH2:6][CH:7]1[CH2:8][CH2:9][CH:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[CH2:17][CH2:18]1)[C@@H:19]([CH3:20])[OH:21] HOPZWTRVILJDRT-UHFFFAOYSA-N.LDLDJEAVRNAEBW-SCSAIBSYSA-N>>JDNSZJJXWVBZKP-RKHAHWSXSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@@H;D3;+0:4](-[CH2;D2;+0:1]-[C:2])-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8]>>I-[CH2;D2;+0:1]-[C:2].[C:3]-[CH2;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8] f2b50c87de6ed6088f63230e9360d9ece690004b6f081818e3623d92e8a1d420 Br[C@@H:4]([C:5](=[O:6])[NH:7][CH:8]([C:9](=[O:10])[NH:11][CH2:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[C:20](=[O:21])[NH:22][CH2:23][CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[CH:31]([CH3:32])[CH3:33].O[C:2]([CH3:1])=[S:3]>CCCCCC.CCOC(C)=O.CN(C)C=O.O.O=C(O)O.[Cs+].[Cs+]>[CH3:1][C:2](=[S:3])[C@H:4]([C:5](=[O:6])[NH:7][CH:8]([C:9](=[O:10])[NH:11][CH2:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[C:20](=[O:21])[NH:22][CH2:23][CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[CH:31]([CH3:32])[CH3:33] DUYAAUVXQSMXQP-UHFFFAOYSA-N.OBLBPFKJRRWDNJ-HXUWFJFHSA-N>>WJNBDOJFQIGIST-JOCHJYFZSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3](=[O;D1;H0:5])-[C@H;D3;+0:1](-[C:2])-[C;H0;D3;+0:6](-[C;D1;H3:7])=[S;D1;H0:8]>>Br-[C@H;D3;+0:1](-[C:2])-[C:3](-[#7:4])=[O;D1;H0:5].O-[C;H0;D3;+0:6](-[C;D1;H3:7])=[S;D1;H0:8] 28e4357669ab5aa7b7af1f05042bf496ab05230a55c4d1a96287768874a47a90 Br[C@H:4]([CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[C:12](=[O:13])[NH:14][CH:15]([C:16](=[O:17])[NH:18][CH2:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[C:27](=[O:28])[NH:29][CH2:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.O[C:2]([CH3:1])=[S:3]>CN(C)C=O.O=C(O)O.[Cs+].[Cs+]>[CH3:1][C:2](=[S:3])[C@@H:4]([CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[C:12](=[O:13])[NH:14][CH:15]([C:16](=[O:17])[NH:18][CH2:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[C:27](=[O:28])[NH:29][CH2:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1 CWQAJILJWSDRIE-XMMPIXPASA-N.DUYAAUVXQSMXQP-UHFFFAOYSA-N>>JICVZRPOGUFBCM-AREMUKBSSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3](=[O;D1;H0:5])-[C@H;D3;+0:1](-[C:2])-[C;H0;D3;+0:6](-[C;D1;H3:7])=[S;D1;H0:8]>>Br-[C@H;D3;+0:1](-[C:2])-[C:3](-[#7:4])=[O;D1;H0:5].O-[C;H0;D3;+0:6](-[C;D1;H3:7])=[S;D1;H0:8] 28e4357669ab5aa7b7af1f05042bf496ab05230a55c4d1a96287768874a47a90 Br[C@H:4]([CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[C:12](=[O:13])[NH:14][CH:15]([C:16](=[O:17])[NH:18][CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[C:26](=[O:27])[NH:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.O[C:2]([CH3:1])=[S:3]>CCCCCC.CCOC(C)=O.CN(C)C=O.O.O=C(O)O.[Cs+].[Cs+]>[CH3:1][C:2](=[S:3])[C@@H:4]([CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[C:12](=[O:13])[NH:14][CH:15]([C:16](=[O:17])[NH:18][CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[C:26](=[O:27])[NH:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1 AOAIWPSLKKLSNJ-JOCHJYFZSA-N.DUYAAUVXQSMXQP-UHFFFAOYSA-N>>IDBRKOFJNKDGGC-XMMPIXPASA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3](=[O;D1;H0:5])-[C@H;D3;+0:1](-[C:2])-[C;H0;D3;+0:6](-[C;D1;H3:7])=[S;D1;H0:8]>>Br-[C@H;D3;+0:1](-[C:2])-[C:3](-[#7:4])=[O;D1;H0:5].O-[C;H0;D3;+0:6](-[C;D1;H3:7])=[S;D1;H0:8] 28e4357669ab5aa7b7af1f05042bf496ab05230a55c4d1a96287768874a47a90 [CH3:1][c:2]1[cH:3][n:4]2[c:27]([n:29][c:30]1=[O:31])[O:28][C@@H:12]1[C@H:5]2[O:6][C@H:7]([CH2:8][OH:9])[C@H:10]1[OH:11].[OH:13][CH2:14][CH2:15][N:16]1[C:17](=[O:18])[c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2[C:25]1=[O:26]>B.C1CCOC1.O=C(O)O.[H][H].[Na+]>[CH3:1][c:2]1[cH:3][n:4]([C@@H:5]2[O:6][C@H:7]([CH2:8][OH:9])[C@@H:10]([OH:11])[C@H:12]2[O:13][CH2:14][CH2:15][N:16]2[C:17](=[O:18])[c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]3[C:25]2=[O:26])[c:27](=[O:28])[nH:29][c:30]1=[O:31] MWFLUYFYHANMCM-UHFFFAOYSA-N.WLLOAUCNUMYOQI-JAGXHNFQSA-N>>SZYZSXFWVCHGGL-DEXNDLTESA-N 0.0 Unrecognized False stereospecific False [#8:1]-[C:2](-[#7;a:3]:[c;H0;D3;+0:4](=[O;H0;D1;+0:7]):[nH;D2;+0:5]:[c:6])-[C@@H;D3;+0:8](-[C:9])-[O;H0;D2;+0:11]-[C:10]>>[#8:1]-[C:2]1-[#7;a:3]:[c;H0;D3;+0:4](:[n;H0;D2;+0:5]:[c:6])-[O;H0;D2;+0:7]-[C@H;D3;+0:8]-1-[C:9].[C:10]-[OH;D1;+0:11] 0e5b5316728b7b81a418cdf5b4ac5188ea9d168a0d0f43fb6241b09403ec4dc7 O[CH2:22][CH:4]([S:3][C@H:2]([CH3:1])[C@:23]([OH:24])([CH2:25][n:26]1[cH:27][n:28][cH:29][n:30]1)[c:31]1[c:32]([F:33])[cH:34][c:35]([F:36])[cH:37][cH:38]1)[CH2:5][OH:6].[CH:7](/[CH:8]=[CH:9]/[CH:10]=[CH:11]/[c:12]1[c:13]([F:14])[cH:15][c:16]([C:17]#[N:18])[cH:19][cH:20]1)=[O:21]>C1CCOC1.Cc1ccc(S(=O)(=O)O)cc1.O>[CH3:1][C@@H:2]([S:3][C@H:4]1[CH2:5][O:6][C@H:7](/[CH:8]=[CH:9]/[CH:10]=[CH:11]/[c:12]2[c:13]([F:14])[cH:15][c:16]([C:17]#[N:18])[cH:19][cH:20]2)[O:21][CH2:22]1)[C@:23]([OH:24])([CH2:25][n:26]1[cH:27][n:28][cH:29][n:30]1)[c:31]1[c:32]([F:33])[cH:34][c:35]([F:36])[cH:37][cH:38]1 FSTVFPPFKAWOMS-ZPUQHVIOSA-N.SQMIRNSTHPHKKB-MEBBXXQBSA-N>>XSRKBFUVSRRJDX-GGZJQHSXSA-N 0.0 Unrecognized True substrate controlled False [S;H0;D2;+0:3]-[C@@H;D3;+0:2]1-[CH2;D2;+0:1]-[O;H0;D2;+0:7]-[C@H;D3;+0:6]-[O;H0;D2;+0:5]-[CH2;D2;+0:4]-1>>O-[CH2;D2;+0:1]-[CH;D3;+0:2](-[S;H0;D2;+0:3])-[CH2;D2;+0:4]-[OH;D1;+0:5].[CH;D2;+0:6]=[O;H0;D1;+0:7] 9d47acf1ce73c04b61454025af6cabfd65b9f44c6f8e9b49719deac760327c37 C[C@H]1[C@:16]([CH2:18][n:19]2[cH:20][n:21][cH:22][n:23]2)([c:24]2[c:25]([F:26])[cH:27][cH:28][cH:29][cH:30]2)[O:17]1.O=[C:2]([CH3:1])[S:3][C@H:4]1[CH2:5][O:6][C@H:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[O:14][CH2:15]1>CCO.CO.[Na+]>[CH3:1][C@@H:2]([S:3][C@H:4]1[CH2:5][O:6][C@H:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[O:14][CH2:15]1)[C@:16]([OH:17])([CH2:18][n:19]1[cH:20][n:21][cH:22][n:23]1)[c:24]1[c:25]([F:26])[cH:27][cH:28][cH:29][cH:30]1 UFWPCVCBQBEWIU-JOYOIKCWSA-N.ZBXVFAIERREZMA-HAQNSBGRSA-N>>ZRJDRNAJVDYNFS-LVOPCWDJSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@@;H0;D4;+0:2](-[OH;D1;+0:1])(-[C@@H;D3;+0:10](-[C;D1;H3:11])-[#16:12]-[C:13])-[c:4]1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1>>C-[C@@H]1-[O;H0;D2;+0:1]-[C@@;H0;D4;+0:2]-1(-[C:3])-[c:4]1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1.O=[C;H0;D3;+0:10](-[C;D1;H3:11])-[#16:12]-[C:13] 96f6cad6df9e2decab28c7d692fc6bcb6ccd99729f776388579f27a4ab35d463 C[C@H]1[C@:16]([CH2:18][n:19]2[cH:20][n:21][cH:22][n:23]2)([c:24]2[cH:25][cH:26][c:27]([F:28])[cH:29][cH:30]2)[O:17]1.O=[C:2]([CH3:1])[S:3][C@H:4]1[CH2:5][O:6][C@@H:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[O:14][CH2:15]1>CCO.CO.[Na+]>[CH3:1][C@@H:2]([S:3][C@H:4]1[CH2:5][O:6][C@@H:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[O:14][CH2:15]1)[C@:16]([OH:17])([CH2:18][n:19]1[cH:20][n:21][cH:22][n:23]1)[c:24]1[cH:25][cH:26][c:27]([F:28])[cH:29][cH:30]1 RUIOWHHABLTNSQ-JOYOIKCWSA-N.ZBXVFAIERREZMA-TXEJJXNPSA-N>>MSBIUMKTQVTDOK-ZINXYGQCSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@@;H0;D4;+0:2](-[OH;D1;+0:1])(-[C@@H;D3;+0:10](-[C;D1;H3:11])-[#16:12]-[C:13])-[c:4]1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1>>C-[C@@H]1-[O;H0;D2;+0:1]-[C@@;H0;D4;+0:2]-1(-[C:3])-[c:4]1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1.O=[C;H0;D3;+0:10](-[C;D1;H3:11])-[#16:12]-[C:13] 96f6cad6df9e2decab28c7d692fc6bcb6ccd99729f776388579f27a4ab35d463 C[C@H]1[C@:16]([CH2:18][n:19]2[cH:20][n:21][cH:22][n:23]2)([c:24]2[c:25]([F:26])[c:27]([F:28])[cH:29][cH:30][cH:31]2)[O:17]1.O=[C:2]([CH3:1])[S:3][C@H:4]1[CH2:5][O:6][C@H:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[O:14][CH2:15]1>CCO.CO.CO.[Na+]>[CH3:1][C@@H:2]([S:3][C@H:4]1[CH2:5][O:6][C@H:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[O:14][CH2:15]1)[C@:16]([OH:17])([CH2:18][n:19]1[cH:20][n:21][cH:22][n:23]1)[c:24]1[c:25]([F:26])[c:27]([F:28])[cH:29][cH:30][cH:31]1 PTEUYZHZZCBLAA-QPUJVOFHSA-N.ZBXVFAIERREZMA-HAQNSBGRSA-N>>SMPGUJGNNPCMRF-PVFUSPOPSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@@;H0;D4;+0:2](-[OH;D1;+0:1])(-[C@@H;D3;+0:10](-[C;D1;H3:11])-[#16:12]-[C:13])-[c:4]1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1>>C-[C@@H]1-[O;H0;D2;+0:1]-[C@@;H0;D4;+0:2]-1(-[C:3])-[c:4]1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1.O=[C;H0;D3;+0:10](-[C;D1;H3:11])-[#16:12]-[C:13] 96f6cad6df9e2decab28c7d692fc6bcb6ccd99729f776388579f27a4ab35d463 O[CH2:22][CH:4]([S:3][C@H:2]([CH3:1])[C@:23]([OH:24])([CH2:25][n:26]1[cH:27][n:28][cH:29][n:30]1)[c:31]1[c:32]([F:33])[c:34]([F:35])[cH:36][cH:37][cH:38]1)[CH2:5][OH:6].[CH:7](/[CH:8]=[CH:9]/[CH:10]=[CH:11]/[c:12]1[c:13]([F:14])[cH:15][c:16]([C:17]#[N:18])[cH:19][cH:20]1)=[O:21]>Cc1ccc(S(=O)(=O)O)cc1.O>[CH3:1][C@@H:2]([S:3][C@H:4]1[CH2:5][O:6][C@H:7](/[CH:8]=[CH:9]/[CH:10]=[CH:11]/[c:12]2[c:13]([F:14])[cH:15][c:16]([C:17]#[N:18])[cH:19][cH:20]2)[O:21][CH2:22]1)[C@:23]([OH:24])([CH2:25][n:26]1[cH:27][n:28][cH:29][n:30]1)[c:31]1[c:32]([F:33])[c:34]([F:35])[cH:36][cH:37][cH:38]1 AEXAUCDVXZMREK-MEBBXXQBSA-N.FSTVFPPFKAWOMS-ZPUQHVIOSA-N>>GGDSOQZGMKDCSN-QPYXGXPDSA-N 0.0 Unrecognized True substrate controlled False [S;H0;D2;+0:3]-[C@@H;D3;+0:2]1-[CH2;D2;+0:1]-[O;H0;D2;+0:7]-[C@H;D3;+0:6]-[O;H0;D2;+0:5]-[CH2;D2;+0:4]-1>>O-[CH2;D2;+0:1]-[CH;D3;+0:2](-[S;H0;D2;+0:3])-[CH2;D2;+0:4]-[OH;D1;+0:5].[CH;D2;+0:6]=[O;H0;D1;+0:7] 9d47acf1ce73c04b61454025af6cabfd65b9f44c6f8e9b49719deac760327c37 O[CH2:22][CH:4]([S:3][C@H:2]([CH3:1])[C@:23]([OH:24])([CH2:25][n:26]1[cH:27][n:28][cH:29][n:30]1)[c:31]1[c:32]([F:33])[cH:34][cH:35][c:36]([F:37])[cH:38]1)[CH2:5][OH:6].[CH:7](/[CH:8]=[CH:9]/[CH:10]=[CH:11]/[c:12]1[c:13]([F:14])[cH:15][c:16]([C:17]#[N:18])[cH:19][cH:20]1)=[O:21]>Cc1ccc(S(=O)(=O)O)cc1.O>[CH3:1][C@@H:2]([S:3][C@H:4]1[CH2:5][O:6][C@H:7](/[CH:8]=[CH:9]/[CH:10]=[CH:11]/[c:12]2[c:13]([F:14])[cH:15][c:16]([C:17]#[N:18])[cH:19][cH:20]2)[O:21][CH2:22]1)[C@:23]([OH:24])([CH2:25][n:26]1[cH:27][n:28][cH:29][n:30]1)[c:31]1[c:32]([F:33])[cH:34][cH:35][c:36]([F:37])[cH:38]1 FSTVFPPFKAWOMS-ZPUQHVIOSA-N.MGEYVWPMVHCZSH-MEBBXXQBSA-N>>BNDFBQBWJJQQKT-GGZJQHSXSA-N 0.0 Unrecognized True substrate controlled False [S;H0;D2;+0:3]-[C@@H;D3;+0:2]1-[CH2;D2;+0:1]-[O;H0;D2;+0:7]-[C@H;D3;+0:6]-[O;H0;D2;+0:5]-[CH2;D2;+0:4]-1>>O-[CH2;D2;+0:1]-[CH;D3;+0:2](-[S;H0;D2;+0:3])-[CH2;D2;+0:4]-[OH;D1;+0:5].[CH;D2;+0:6]=[O;H0;D1;+0:7] 9d47acf1ce73c04b61454025af6cabfd65b9f44c6f8e9b49719deac760327c37 O[CH2:21][CH:4]([S:3][C@H:2]([CH3:1])[C@:22]([OH:23])([CH2:24][n:25]1[cH:26][n:27][cH:28][n:29]1)[c:30]1[c:31]([F:32])[cH:33][c:34]([F:35])[cH:36][cH:37]1)[CH2:5][OH:6].[CH:7](/[CH:8]=[CH:9]/[CH:10]=[CH:11]/[c:12]1[cH:13][cH:14][c:15]([C:16]#[N:17])[cH:18][cH:19]1)=[O:20]>Cc1ccc(S(=O)(=O)O)cc1.ClCCl.O.O=C(O)O.[Na+]>[CH3:1][C@@H:2]([S:3][C@H:4]1[CH2:5][O:6][C@H:7](/[CH:8]=[CH:9]/[CH:10]=[CH:11]/[c:12]2[cH:13][cH:14][c:15]([C:16]#[N:17])[cH:18][cH:19]2)[O:20][CH2:21]1)[C@:22]([OH:23])([CH2:24][n:25]1[cH:26][n:27][cH:28][n:29]1)[c:30]1[c:31]([F:32])[cH:33][c:34]([F:35])[cH:36][cH:37]1 SQMIRNSTHPHKKB-MEBBXXQBSA-N.ZAVFWJPPOAZJDN-ZPUQHVIOSA-N>>DSYONHIDEBUHJU-IDDCFJDOSA-N 0.0 Unrecognized True substrate controlled False [S;H0;D2;+0:3]-[C@@H;D3;+0:2]1-[CH2;D2;+0:1]-[O;H0;D2;+0:7]-[C@H;D3;+0:6]-[O;H0;D2;+0:5]-[CH2;D2;+0:4]-1>>O-[CH2;D2;+0:1]-[CH;D3;+0:2](-[S;H0;D2;+0:3])-[CH2;D2;+0:4]-[OH;D1;+0:5].[CH;D2;+0:6]=[O;H0;D1;+0:7] 9d47acf1ce73c04b61454025af6cabfd65b9f44c6f8e9b49719deac760327c37 CC(=O)O[C@@H:15]1[C@@H:11]([C@@H:2]([CH3:1])[O:3][Si:4]([CH3:5])([CH3:6])[C:7]([CH3:8])([CH3:9])[CH3:10])[C:12](=[O:13])[NH:14]1.[CH2:16]([CH3:17])[C:18](=[O:19])[N:20]1[C:21](=[O:22])[O:23][C@@H:24]2[CH2:25][c:26]3[c:27]([cH:28][cH:29][cH:30][cH:31]3)[C@H:32]12>C1CCOC1.CC(C)(C)[Mg]Cl.CCOC(C)=O.O=C(O)CC(O)(CC(=O)O)C(=O)O>[CH3:1][C@@H:2]([O:3][Si:4]([CH3:5])([CH3:6])[C:7]([CH3:8])([CH3:9])[CH3:10])[C@H:11]1[C:12](=[O:13])[NH:14][C@@H:15]1[C@@H:16]([CH3:17])[C:18](=[O:19])[N:20]1[C:21](=[O:22])[O:23][C@@H:24]2[CH2:25][c:26]3[c:27]([cH:28][cH:29][cH:30][cH:31]3)[C@H:32]12 GWHDKFODLYVMQG-UBHAPETDSA-N.WVVFJKBCQQAYAT-PWSUYJOCSA-N>>NGUSYOSZLDBMIA-YZEAIEHJSA-N 0.0 Unrecognized False substrate controlled False [#7:6]-[C:7](=[O;D1;H0:8])-[C@H;D3;+0:9](-[C;D1;H3:10])-[C@H;D3;+0:1]1-[#7:2]-[C:3](=[O;D1;H0:4])-[C:5]-1>>C-C(=O)-O-[C@H;D3;+0:1]1-[#7:2]-[C:3](=[O;D1;H0:4])-[C:5]-1.[#7:6]-[C:7](=[O;D1;H0:8])-[CH2;D2;+0:9]-[C;D1;H3:10] 30c4296274429e05b6adee86f9b43c6c1c4a7e3b9161be4d55ee3f1acac50978 CC(=O)O[C@@H:15]1[C@@H:11]([C@@H:2]([CH3:1])[O:3][Si:4]([CH3:5])([CH3:6])[C:7]([CH3:8])([CH3:9])[CH3:10])[C:12](=[O:13])[NH:14]1.[CH2:16]([CH3:17])[C:18](=[O:19])[N:20]1[C:21](=[O:22])[O:23][C@H:24]2[CH2:25][c:26]3[c:27]([cH:28][cH:29][cH:30][cH:31]3)[C@@H:32]12>C1CCOC1.CC(C)(C)[Mg]Cl.CCOC(C)=O.O=C(O)CC(O)(CC(=O)O)C(=O)O>[CH3:1][C@@H:2]([O:3][Si:4]([CH3:5])([CH3:6])[C:7]([CH3:8])([CH3:9])[CH3:10])[C@H:11]1[C:12](=[O:13])[NH:14][C@@H:15]1[C@@H:16]([CH3:17])[C:18](=[O:19])[N:20]1[C:21](=[O:22])[O:23][C@H:24]2[CH2:25][c:26]3[c:27]([cH:28][cH:29][cH:30][cH:31]3)[C@@H:32]12 GWHDKFODLYVMQG-UBHAPETDSA-N.WVVFJKBCQQAYAT-CMPLNLGQSA-N>>NGUSYOSZLDBMIA-JSTLVUAASA-N 0.0 Unrecognized False substrate controlled False [#7:6]-[C:7](=[O;D1;H0:8])-[C@H;D3;+0:9](-[C;D1;H3:10])-[C@H;D3;+0:1]1-[#7:2]-[C:3](=[O;D1;H0:4])-[C:5]-1>>C-C(=O)-O-[C@H;D3;+0:1]1-[#7:2]-[C:3](=[O;D1;H0:4])-[C:5]-1.[#7:6]-[C:7](=[O;D1;H0:8])-[CH2;D2;+0:9]-[C;D1;H3:10] 30c4296274429e05b6adee86f9b43c6c1c4a7e3b9161be4d55ee3f1acac50978 CC(=O)O[C@@H:15]1[C@@H:11]([C@@H:2]([CH3:1])[O:3][Si:4]([CH3:5])([CH3:6])[C:7]([CH3:8])([CH3:9])[CH3:10])[C:12](=[O:13])[NH:14]1.[CH2:16]([CH3:17])[C:18](=[O:19])[N:20]1[C:21](=[O:22])[c:23]2[c:24]([cH:25][cH:26][cH:27][cH:28]2)[O:29][C:30]12[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2>C1CCOC1.CCCC[Mg]Cl.CCOC(C)=O.O=C(O)CC(O)(CC(=O)O)C(=O)O>[CH3:1][C@@H:2]([O:3][Si:4]([CH3:5])([CH3:6])[C:7]([CH3:8])([CH3:9])[CH3:10])[C@H:11]1[C:12](=[O:13])[NH:14][C@@H:15]1[C@@H:16]([CH3:17])[C:18](=[O:19])[N:20]1[C:21](=[O:22])[c:23]2[c:24]([cH:25][cH:26][cH:27][cH:28]2)[O:29][C:30]12[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2 GWHDKFODLYVMQG-UBHAPETDSA-N.ZQIKFQPIFFKVBN-UHFFFAOYSA-N>>DDBTVFGGHKNBRE-MCEIDBOGSA-N 0.0 Unrecognized False substrate controlled False [#7:6]-[C:7](=[O;D1;H0:8])-[C@H;D3;+0:9](-[C;D1;H3:10])-[C@H;D3;+0:1]1-[#7:2]-[C:3](=[O;D1;H0:4])-[C:5]-1>>C-C(=O)-O-[C@H;D3;+0:1]1-[#7:2]-[C:3](=[O;D1;H0:4])-[C:5]-1.[#7:6]-[C:7](=[O;D1;H0:8])-[CH2;D2;+0:9]-[C;D1;H3:10] 30c4296274429e05b6adee86f9b43c6c1c4a7e3b9161be4d55ee3f1acac50978 O=[C:20]1[C@@:2]2([CH3:1])[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH:8]=[C:9]4[NH:10][C:11](=[O:12])[CH2:13][CH2:14][C@:15]34[CH3:16])[C@@H:17]2[CH2:18][CH2:19]1.[NH2:21][CH:22]1[CH2:23][CH2:24]1>CCO.CCOC(C)=O.ClC(Cl)Cl.B.[Na+]>[CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH:8]=[C:9]4[NH:10][C:11](=[O:12])[CH2:13][CH2:14][C@:15]34[CH3:16])[C@@H:17]1[CH2:18][CH2:19][C@@H:20]2[NH:21][CH:22]1[CH2:23][CH2:24]1 HTJDQJBWANPRPF-UHFFFAOYSA-N.YEZLLJPPICEITN-LNINBKOHSA-N>>NIVBZLOEJVRSDJ-NQDKFLQJSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:1](-[C:3])-[NH;D2;+0:5]-[C:4]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[C:4]-[NH2;D1;+0:5] c2454aeb328665781ecf13b70416538e76f18f1493bca8d1b83cab39de9515bc [CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@H:6]([C@@H:7]1[CH2:8][CH2:9][C@@H:10]2[O:11][CH:12]1[CH2:13][CH2:14]1)[C:15](=[O:16])[CH:17]=[C:18]1[NH:19][C:20](=[O:21])[CH2:22][CH2:23][C@:24]31[CH3:25]>C1CCOC1.CCO.CCOC(C)=O.B.[Na+]>[CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@H:6]([C@@H:7]1[CH2:8][CH2:9][C@@H:10]2[O:11][CH:12]1[CH2:13][CH2:14]1)[C@@H:15]([OH:16])[CH:17]=[C:18]1[NH:19][C:20](=[O:21])[CH2:22][CH2:23][C@:24]31[CH3:25] MULYZFZLGAVHML-AJQSKXSLSA-N>>ANDJSOWCVKTHKU-WJENWVHLSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[C:1]=[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 30b58d787d9916ad48be3323fde35e4d1c60b573ffde717577d2f36c035f619a [CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]1[CH2:7][C:8](=[O:9])[CH2:10][CH2:11][C@H:12]1[CH3:13]>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.OO.[K+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]1[CH2:7][C@@H:8]([OH:9])[CH2:10][CH2:11][C@H:12]1[CH3:13] NFYIJYQWAIPFAL-VXNVDRBHSA-N>>GUPQXDHWDBBGNX-HRDYMLBCSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][CH2:2][CH:3]([CH3:4])[C@H:5]([NH2:6])[C:7](=[O:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1>CO.Cl.B.[Na+]>[CH3:1][CH2:2][CH:3]([CH3:4])[C@H:5]([NH2:6])[C@H:7]([OH:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1 JUVDVSFDJHIUPZ-UMJHXOGRSA-N>>PUARPYDWLSCXPU-CLGJWYQZSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][C@@H:7]([CH3:8])[C@H:9]1[CH2:10][CH2:11][C@H:12]2[C@@H:13]3[CH2:14][CH:15]=[C:16]4[C:17]([CH3:18])([CH3:19])[C:20](=[O:21])[CH2:22][CH2:23][C@:24]4([CH3:25])[C@H:26]3[CH2:27][CH2:28][C@:29]12[CH3:30]>CO.B.[Na+]>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][C@@H:7]([CH3:8])[C@H:9]1[CH2:10][CH2:11][C@H:12]2[C@@H:13]3[CH2:14][CH:15]=[C:16]4[C:17]([CH3:18])([CH3:19])[C@@H:20]([OH:21])[CH2:22][CH2:23][C@:24]4([CH3:25])[C@H:26]3[CH2:27][CH2:28][C@:29]12[CH3:30] PPBPYGUCLBGWLZ-IBIBGPFUSA-N>>UIUXMYRZGZKVNU-YILGCMHWSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[C:1]=[C:2]-[C:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] a151f5e9b802151b9faa8b0e95d37e4b20ecdf5020ffa32b2705f9b7a2e484eb [CH3:1][C:2](=[O:3])[O:4][C@H:5]1[CH2:6][CH2:7][C@H:8]2[C@@H:9]3[C@H:10]([CH3:11])[CH:12]=[C:13]4[CH2:14][C:15](=[O:16])[CH2:17][CH2:18][C@:19]4([CH3:20])[C@H:21]3[CH2:22][CH2:23][C@:24]12[CH3:25]>C1CCOC1.CC(=O)O.CCO.B.[Na+]>[CH3:1][C:2](=[O:3])[O:4][C@H:5]1[CH2:6][CH2:7][C@H:8]2[C@@H:9]3[C@H:10]([CH3:11])[CH:12]=[C:13]4[CH2:14][C@@H:15]([OH:16])[CH2:17][CH2:18][C@:19]4([CH3:20])[C@H:21]3[CH2:22][CH2:23][C@:24]12[CH3:25] DQDXVQAFSBPHJW-JTIIFYKTSA-N>>DLAWAUZWAKKNAV-FXGIDJSESA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[C:1]=[C:2]-[C:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] a151f5e9b802151b9faa8b0e95d37e4b20ecdf5020ffa32b2705f9b7a2e484eb Br[CH2:3][CH:2]=[CH2:1].[CH2:4]([CH2:5][CH2:6][C:7]1([CH3:8])[O:9][CH2:10][CH2:11][O:12]1)[C:13](=[O:14])[N:15]1[C:16](=[O:17])[O:18][CH2:19][C@@H:20]1[CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1>C1CCOC1.CCOC(C)=O.C[Si](C)(C)N.C[Si](C)(C)N.[Li+].[Li+]>[CH2:1]=[CH:2][CH2:3][C@@H:4]([CH2:5][CH2:6][C:7]1([CH3:8])[O:9][CH2:10][CH2:11][O:12]1)[C:13](=[O:14])[N:15]1[C:16](=[O:17])[O:18][CH2:19][C@@H:20]1[CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1 BHELZAPQIKSEDF-UHFFFAOYSA-N.QXYJCDFZZWJCAX-HNNXBMFYSA-N>>JZVRYVQRKSGRQO-ROUUACIJSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3]>>Br-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3].[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 42181a6356d577596039c200ae5f750211582bc9cf6ade255d2ea9d2dd6ad309 Br[CH2:4][C:2](=[CH2:1])[CH3:3].[CH2:5]([CH2:6][CH2:7][C:8]1([CH3:9])[O:10][CH2:11][CH2:12][O:13]1)[C:14](=[O:15])[N:16]1[C:17](=[O:18])[O:19][CH2:20][C@H:21]1[CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1>C1CCOC1.CCOC(C)=O.C[Si](C)(C)N.C[Si](C)(C)N.[Li+].[Li+]>[CH2:1]=[C:2]([CH3:3])[CH2:4][C@H:5]([CH2:6][CH2:7][C:8]1([CH3:9])[O:10][CH2:11][CH2:12][O:13]1)[C:14](=[O:15])[N:16]1[C:17](=[O:18])[O:19][CH2:20][C@H:21]1[CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1 QXYJCDFZZWJCAX-OAHLLOKOSA-N.USEGQJLHQSTGHW-UHFFFAOYSA-N>>VYVBJKCXNXLJPX-RBUKOAKNSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@@H;D3;+0:7](-[C:8])-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3]>>Br-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3].[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 33ab82ef5c99f3e34387d3b6e363f0a79dd4e6af47e65d8e6c0b4cf419209900 Cl[OH:19].[CH3:1][O:2][CH:3]([O:4][CH3:5])[C@@:6]1([CH3:7])[O:8][c:9]2[c:10]([cH:11][c:12]([N+:13](=[O:14])[O-:15])[cH:16][cH:17]2)[CH:18]=[CH:20]1>ClCCl.[Na+]>[CH3:1][O:2][CH:3]([O:4][CH3:5])[C@@:6]1([CH3:7])[O:8][c:9]2[c:10]([cH:11][c:12]([N+:13](=[O:14])[O-:15])[cH:16][cH:17]2)[C@H:18]2[O:19][C@@H:20]12 FQQAVRSUTPXFRX-ZDUSSCGKSA-N.QWPPOHNGKGFGJK-UHFFFAOYSA-N>>IUCVZCYPEDRIRJ-WZRBSPASSA-N 0.0 Unrecognized True substrate controlled False [C@@H;D3;+0:2]1-[C@@H;D3;+0:3]-[O;H0;D2;+0:1]-1>>Cl-[OH;D1;+0:1].[CH;D2;+0:2]=[CH;D2;+0:3] 0a2fc8d2c1e1a6a01dc81bf83e3c9b90d1720489fd6bff98f3bc17c35940f108 Cl[OH:19].[CH3:1][O:2][CH:3]([O:4][CH3:5])[C@:6]1([CH3:7])[O:8][c:9]2[c:10]([cH:11][c:12]([N+:13](=[O:14])[O-:15])[cH:16][cH:17]2)[CH:18]=[CH:20]1>ClCCl.[Na+]>[CH3:1][O:2][CH:3]([O:4][CH3:5])[C@:6]1([CH3:7])[O:8][c:9]2[c:10]([cH:11][c:12]([N+:13](=[O:14])[O-:15])[cH:16][cH:17]2)[C@@H:18]2[O:19][C@H:20]12 FQQAVRSUTPXFRX-CYBMUJFWSA-N.QWPPOHNGKGFGJK-UHFFFAOYSA-N>>IUCVZCYPEDRIRJ-GMXVVIOVSA-N 0.0 Unrecognized True substrate controlled False [C@H;D3;+0:2]1-[C@H;D3;+0:3]-[O;H0;D2;+0:1]-1>>Cl-[OH;D1;+0:1].[CH;D2;+0:2]=[CH;D2;+0:3] 0a2fc8d2c1e1a6a01dc81bf83e3c9b90d1720489fd6bff98f3bc17c35940f108 N[C@@H:5]([C@H:3]([CH2:2][CH3:1])[CH3:4])[C:7](=[O:8])[OH:9].[BrH:6]>O=NO.[Na+]>[CH3:1][CH2:2][C@H:3]([CH3:4])[C@H:5]([Br:6])[C:7](=[O:8])[OH:9] AGPKZVBTJJNPAG-WHFBIAKZSA-N.CPELXLSAUQHCOX-UHFFFAOYSA-N>>GQZXYZIKUQUVKE-WHFBIAKZSA-N 0.0 Unrecognized False stereospecific False [Br;H0;D1;+0:6]-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[BrH;D0;+0:6] 725b99ce5395867b212156ab1585cf7caca701dd3055539d65ad5fa62af6db35 N[C@H:5]([CH2:4][CH2:3][CH2:2][CH3:1])[C:7](=[O:8])[OH:9].[OH2:6]>O=NO.O=S(=O)(O)O.[Na+]>[CH3:1][CH2:2][CH2:3][CH2:4][C@@H:5]([OH:6])[C:7](=[O:8])[OH:9] LRQKBLKVPFOOQJ-RXMQYKEDSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>NYHNVHGFPZAZGA-RXMQYKEDSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[OH;D1;+0:6])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[OH2;D0;+0:6] 597e60c00d458940162d7a3f76139b2de64f6543c2b538d3961221d7df07e2ca [CH3:1][c:2]1[c:3]([CH3:4])[n:5]2[cH:6][cH:7][c:8]3[c:9]([c:22]2[n:23]1)[NH:10][C@H:11]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[C@@H:18]([OH:19])[C:20]3=[O:21]>CO.O.B.[Na+]>[CH3:1][c:2]1[c:3]([CH3:4])[n:5]2[cH:6][cH:7][c:8]3[c:9]([c:22]2[n:23]1)[NH:10][C@H:11]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[C@@H:18]([OH:19])[C@@H:20]3[OH:21] HZARBZKYLFMYGP-RHSMWYFYSA-N>>FHHGNULEXOWEKU-DJIMGWMZSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c CC(=O)O[C@@H:8]1[O:7][CH2:6][C@@H:5]([O:4][C:2]([CH3:1])=[O:3])[C@@H:25]([O:26][C:27]([CH3:28])=[O:29])[C@H:20]1[O:21][C:22]([CH3:23])=[O:24].[n:9]1[cH:10][nH:11][c:12]2[c:13]1[cH:14][c:15]([CH3:16])[c:17]([Cl:18])[cH:19]2>CC(N)=O.C[Si](C)(C)OS(=O)(=O)C(F)(F)F.ClCCCl.O=C(O)O.[Na+]>[CH3:1][C:2](=[O:3])[O:4][C@@H:5]1[CH2:6][O:7][C@@H:8]([n:9]2[cH:10][n:11][c:12]3[c:13]2[cH:14][c:15]([CH3:16])[c:17]([Cl:18])[cH:19]3)[C@H:20]([O:21][C:22]([CH3:23])=[O:24])[C@@H:25]1[O:26][C:27]([CH3:28])=[O:29] CMRKDXGOFRFBFT-UHFFFAOYSA-N.MJOQJPYNENPSSS-LPWJVIDDSA-N>>IUWHWMIVAPHTAJ-NCXUSEDFSA-N 0.0 Unrecognized False stereospecific False [C:6]-[#8:5]-[C:4]1-[C:3]-[#8:2]-[C@@H;D3;+0:1](-[n;H0;D3;+0:18]2:[c:17]:[n;H0;D2;+0:21]:[c:20]:[c:19]:2)-[C:12](-[#8:13]-[C:14](-[C;D1;H3:15])=[O;D1;H0:16])-[C:7]-1-[#8:8]-[C:9](-[C;D1;H3:10])=[O;D1;H0:11]>>C-C(=O)-O-[C@@H;D3;+0:1]1-[#8:2]-[C:3]-[C:4](-[#8:5]-[C:6])-[C:7](-[#8:8]-[C:9](-[C;D1;H3:10])=[O;D1;H0:11])-[C:12]-1-[#8:13]-[C:14](-[C;D1;H3:15])=[O;D1;H0:16].[c:17]1:[n;H0;D2;+0:18]:[c:19]:[c:20]:[nH;D2;+0:21]:1 ea071b2ee3956277028256d002f7dd8755f849b8932f2caf185543aafdf1fc36 CC(=O)O[C@@H:8]1[O:7][CH2:6][C@@H:5]([O:4][C:2]([CH3:1])=[O:3])[C@@H:25]([O:26][C:27]([CH3:28])=[O:29])[C@H:20]1[O:21][C:22]([CH3:23])=[O:24].[nH:9]1[cH:10][n:11][c:12]2[c:13]1[cH:14][c:15]([F:16])[c:17]([F:18])[cH:19]2>C/C(=N\[Si](C)(C)C)O[Si](C)(C)C.CO.C[Si](C)(C)OS(=O)(=O)C(F)(F)F.ClCCCl.O=C(O)O.[Na+]>[CH3:1][C:2](=[O:3])[O:4][C@@H:5]1[CH2:6][O:7][C@@H:8]([n:9]2[cH:10][n:11][c:12]3[c:13]2[cH:14][c:15]([F:16])[c:17]([F:18])[cH:19]3)[C@H:20]([O:21][C:22]([CH3:23])=[O:24])[C@@H:25]1[O:26][C:27]([CH3:28])=[O:29] IAYQNPPZFVAZLY-UHFFFAOYSA-N.MJOQJPYNENPSSS-LPWJVIDDSA-N>>RBOALOWQUINYNF-BRSBDYLESA-N 0.0 Unrecognized False stereospecific False [C:6]-[#8:5]-[C:4]1-[C:3]-[#8:2]-[C@@H;D3;+0:1](-[n;H0;D3;+0:19]2:[c:18]:[#7;a:17]:[c:21]:[c:20]:2)-[C:12](-[#8:13]-[C:14](-[C;D1;H3:15])=[O;D1;H0:16])-[C:7]-1-[#8:8]-[C:9](-[C;D1;H3:10])=[O;D1;H0:11]>>C-C(=O)-O-[C@@H;D3;+0:1]1-[#8:2]-[C:3]-[C:4](-[#8:5]-[C:6])-[C:7](-[#8:8]-[C:9](-[C;D1;H3:10])=[O;D1;H0:11])-[C:12]-1-[#8:13]-[C:14](-[C;D1;H3:15])=[O;D1;H0:16].[#7;a:17]1:[c:18]:[nH;D2;+0:19]:[c:20]:[c:21]:1 ea071b2ee3956277028256d002f7dd8755f849b8932f2caf185543aafdf1fc36 [O:1]=[C:2]([CH2:3][Br:4])[c:5]1[cH:6][cH:7][cH:8][n:9][cH:10]1>B.Br.C1CCOC1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12>[OH:1][C@@H:2]([CH2:3][Br:4])[c:5]1[cH:6][cH:7][cH:8][n:9][cH:10]1 IQMGXSROJBYCLS-UHFFFAOYSA-N>>WTFAEVUHAUTLEF-ZETCQYMHSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 8195ad48987c12d459870b75bedef46a37480b4c6c44771b180631aa2774a53a [CH3:1][C@:2]12[CH2:3][C@H:4]([c:5]3[cH:6][cH:7][c:8]([CH2:9][CH2:10][CH2:11][N:12]4[CH2:13][CH2:14][CH2:15][CH2:16]4)[cH:17][cH:18]3)[C@@H:19]3[c:20]4[c:21]([cH:22][c:23]([OH:24])[cH:25][cH:26]4)[CH2:27][CH2:28][C@H:29]3[C@@H:30]1[CH2:31][CH2:32][C:33]2=[O:34]>CO.O.[Na]>[CH3:1][C@:2]12[CH2:3][C@H:4]([c:5]3[cH:6][cH:7][c:8]([CH2:9][CH2:10][CH2:11][N:12]4[CH2:13][CH2:14][CH2:15][CH2:16]4)[cH:17][cH:18]3)[C@@H:19]3[c:20]4[c:21]([cH:22][c:23]([OH:24])[cH:25][cH:26]4)[CH2:27][CH2:28][C@H:29]3[C@@H:30]1[CH2:31][CH2:32][C@@H:33]2[OH:34] MXAFDSBCPCIPDH-NCJVALPZSA-N>>IWMAOGDHGOGMCR-YYPWWLTISA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 O=C(c1ccccc1)[O:15][CH2:14][C@@H:13]1[O:12][C@H:11]([n:10]2[c:6]3[n:5][cH:4][nH:3][c:2](=[O:1])[c:7]3[cH:8][n:9]2)[C@@:18](C(=O)c2ccccc2)([OH:19])[C@@:16]1(C(=O)c1ccccc1)[OH:17]>CO.N>[O:1]=[c:2]1[nH:3][cH:4][n:5][c:6]2[c:7]1[cH:8][n:9][n:10]2[C@H:11]1[O:12][C@@H:13]([CH2:14][OH:15])[C@H:16]([OH:17])[C@@H:18]1[OH:19] MLTFUKRYRFEJFT-UISMFSQSSA-N>>KFQUAMTWOJHPEJ-QFNGTQGLSA-N 0.0 Unrecognized False stereospecific False [O;D1;H1:9]-[C@H;D3;+0:8]1-[C:3](-[C:2]-[OH;D1;+0:1])-[#8:4]-[C:5]-[C@H;D3;+0:6]-1-[O;D1;H1:7]>>O=C(-[O;H0;D2;+0:1]-[C:2]-[C:3]1-[#8:4]-[C:5]-[C@;H0;D4;+0:6](-[O;D1;H1:7])(-C(=O)-c2:c:c:c:c:c:2)-[C@;H0;D4;+0:8]-1(-[O;D1;H1:9])-C(=O)-c1:c:c:c:c:c:1)-c1:c:c:c:c:c:1 5e1dff8cad0fdb9a94f6a0c1b68e401cf45a335edbe3e918a4af9b60c225ebe4 O=C(c1ccccc1)[O:16][CH2:15][C@@H:14]1[O:13][C@H:12]([n:11]2[c:6]3[n:5][cH:4][nH:3][c:2](=[O:1])[c:7]3[c:8]([Br:9])[n:10]2)[C@@:19](C(=O)c2ccccc2)([OH:20])[C@@:17]1(C(=O)c1ccccc1)[OH:18]>CO.N>[O:1]=[c:2]1[nH:3][cH:4][n:5][c:6]2[c:7]1[c:8]([Br:9])[n:10][n:11]2[C@H:12]1[O:13][C@@H:14]([CH2:15][OH:16])[C@H:17]([OH:18])[C@@H:19]1[OH:20] KQIYVZXHTTULKL-MTJHCIAXSA-N>>WTRYUZRWLPJGTQ-PCWZKHHASA-N 0.0 Unrecognized False stereospecific False [O;D1;H1:9]-[C@H;D3;+0:8]1-[C:3](-[C:2]-[OH;D1;+0:1])-[#8:4]-[C:5]-[C@H;D3;+0:6]-1-[O;D1;H1:7]>>O=C(-[O;H0;D2;+0:1]-[C:2]-[C:3]1-[#8:4]-[C:5]-[C@;H0;D4;+0:6](-[O;D1;H1:7])(-C(=O)-c2:c:c:c:c:c:2)-[C@;H0;D4;+0:8]-1(-[O;D1;H1:9])-C(=O)-c1:c:c:c:c:c:1)-c1:c:c:c:c:c:1 5e1dff8cad0fdb9a94f6a0c1b68e401cf45a335edbe3e918a4af9b60c225ebe4 [CH3:1][CH:2]([CH3:3])[CH2:4][CH2:5][CH2:6][C@@H:7]([CH3:8])[C@H:9]1[CH2:10][CH2:11][C@H:12]2[C:13]3=[C:14]([CH2:15][CH2:16][C@:17]12[CH3:18])[C@@:19]1([CH3:20])[CH2:21][CH2:22][C:23](=[O:24])[C:25]([CH3:26])([CH3:27])[C:28]1=[CH:29][CH2:30]3>C1CCOC1>[CH3:1][CH:2]([CH3:3])[CH2:4][CH2:5][CH2:6][C@@H:7]([CH3:8])[C@H:9]1[CH2:10][CH2:11][C@H:12]2[C:13]3=[C:14]([CH2:15][CH2:16][C@:17]12[CH3:18])[C@@:19]1([CH3:20])[CH2:21][CH2:22][C@H:23]([OH:24])[C:25]([CH3:26])([CH3:27])[C:28]1=[CH:29][CH2:30]3 SDUOYSLINQPSQG-BETUGKPKSA-N>>BZUQRPQLSRHEBZ-GIKAAOMJSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5]=[C:6]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5]=[C:6] 50cd10b3d6b4f03ab6424f91d9524fcff15cd23631f08c87cf3fcb5fa027c4ee [O:1]=[C:2]([CH2:3][Br:4])[c:5]1[cH:6][cH:7][cH:8][n:9][cH:10]1>B.Br.C1CCOC1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12>[OH:1][C@@H:2]([CH2:3][Br:4])[c:5]1[cH:6][cH:7][cH:8][n:9][cH:10]1 IQMGXSROJBYCLS-UHFFFAOYSA-N>>WTFAEVUHAUTLEF-ZETCQYMHSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 59818681547a35b540f5f8f7dbade1077a9ae258660c4149c86b99538d1ed2c0 [CH3:1][C:2](=[O:3])[c:4]1[cH:5][c:6]([N+:7](=[O:8])[O-:9])[cH:10][cH:11][cH:12]1>B.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CO.ClCCl>[CH3:1][C@@H:2]([OH:3])[c:4]1[cH:5][c:6]([N+:7](=[O:8])[O-:9])[cH:10][cH:11][cH:12]1 ARKIFHPFTHVKDT-UHFFFAOYSA-N>>FRPQAVXDUWMFCK-ZCFIWIBFSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH:23](=[O:24])[CH2:25][CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[O:1]=[C:2]1[O:3][CH2:4][C@@H:5]([CH2:6][c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[N:13]1[C:14](=[O:15])[CH2:16][CH2:17][CH:18]1[CH2:19][CH2:20][CH2:21][CH2:22]1>CCCC[B+]CCCC.CCN(CC)CC.ClCCl.O=S(=O)(O)C(F)(F)F>[O:1]=[C:2]1[O:3][CH2:4][C@@H:5]([CH2:6][c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[N:13]1[C:14](=[O:15])[C@H:16]([CH2:17][CH:18]1[CH2:19][CH2:20][CH2:21][CH2:22]1)[C@@H:23]([OH:24])[CH2:25][CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1 WWXZRKUEKAWUDO-MRXNPFEDSA-N.YGCZTXZTJXYWCO-UHFFFAOYSA-N>>LOLAZXMQEWBYLP-SDHSZQHLSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2](=[O;D1;H0:3])-[C@H;D3;+0:4](-[C:5])-[C@H;D3;+0:7](-[C:6])-[OH;D1;+0:8]>>[#7:1]-[C:2](=[O;D1;H0:3])-[CH2;D2;+0:4]-[C:5].[C:6]-[CH;D2;+0:7]=[O;H0;D1;+0:8] 202851e7107e88aaf33fb0ef9e104c04fb924fb7d1aad1dd5b4828e055719032 O=C(c1ccccc1)[O:14][CH2:13][C@@H:12]1[O:11][C@H:10]([n:9]2[c:4]3[n:3][c:2]([NH2:1])[nH:21][c:19](=[O:20])[c:5]3[s:6][c:7]2=[O:8])[C@@:17](C(=O)c2ccccc2)([OH:18])[C@@:15]1(C(=O)c1ccccc1)[OH:16]>CO.CO.[Na+]>[NH2:1][c:2]1[n:3][c:4]2[c:5]([s:6][c:7](=[O:8])[n:9]2[C@H:10]2[O:11][C@@H:12]([CH2:13][OH:14])[C@H:15]([OH:16])[C@@H:17]2[OH:18])[c:19](=[O:20])[nH:21]1 BNDXNVWJUQHYJM-XGPCLLDWSA-N>>TZYVRXZQAWPIAB-NHDVCMSYSA-N 0.0 Unrecognized False stereospecific False [O;D1;H1:9]-[C@H;D3;+0:8]1-[C:3](-[C:2]-[OH;D1;+0:1])-[#8:4]-[C:5]-[C@H;D3;+0:6]-1-[O;D1;H1:7]>>O=C(-[O;H0;D2;+0:1]-[C:2]-[C:3]1-[#8:4]-[C:5]-[C@;H0;D4;+0:6](-[O;D1;H1:7])(-C(=O)-c2:c:c:c:c:c:2)-[C@;H0;D4;+0:8]-1(-[O;D1;H1:9])-C(=O)-c1:c:c:c:c:c:1)-c1:c:c:c:c:c:1 5e1dff8cad0fdb9a94f6a0c1b68e401cf45a335edbe3e918a4af9b60c225ebe4 [O:1]=[C:2]([CH2:3][Br:4])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1>C1CCOC1.CB1N[C@H](C2CCCCC2)C(c2ccccc2)(c2ccccc2)O1.CCOC(C)=O.CO>[OH:1][C@@H:2]([CH2:3][Br:4])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1 LIGACIXOYTUXAW-UHFFFAOYSA-N>>DAHHEUQBMDBSLO-QMMMGPOBSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c N[C@H:5]([C:2]([CH3:1])([CH3:3])[CH3:4])[C:7](=[O:8])[OH:9].[OH2:6]>O=NO.O=S(=O)(O)O.Cl.[Na+].[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[C@@H:5]([OH:6])[C:7](=[O:8])[OH:9] NPDBDJFLKKQMCM-BYPYZUCNSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>FWVNWTNCNWRCOU-BYPYZUCNSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[OH;D1;+0:6])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[OH2;D0;+0:6] 597e60c00d458940162d7a3f76139b2de64f6543c2b538d3961221d7df07e2ca CS(=O)(=O)[Cl:15].O[CH2:16][C@@H:14]1[N:9]([CH2:8][CH2:7][c:6]2[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:18][cH:17]2)[CH2:10][CH2:11][CH2:12][CH2:13]1>CCN(CC)CC.ClCCl.O=C(O)O.[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][CH2:8][N:9]2[CH2:10][CH2:11][CH2:12][CH2:13][C@@H:14]([Cl:15])[CH2:16]2)[cH:17][cH:18]1 QARBMVPHQWIHKH-UHFFFAOYSA-N.TZDWZUGRAKEPSD-CQSZACIVSA-N>>MYCZIIWQUKNKKF-CQSZACIVSA-N 0.0 Unrecognized False stereospecific False [C:6]-[N;H0;D3;+0:5](-[C:7])-[CH2;D2;+0:2]-[C@@H;D3;+0:3](-[C:4])-[Cl;H0;D1;+0:1]>>C-S(=O)(=O)-[Cl;H0;D1;+0:1].O-[CH2;D2;+0:2]-[C@@H;D3;+0:3](-[C:4])-[N;H0;D3;+0:5](-[C:6])-[C:7] e454cc07ec26e0f38ebd81acd400615d8fb30307d9c63b09f15bc31b8241d693 CS(=O)(=O)[Cl:16].O[CH2:17][C@@H:15]1[N:10]([CH2:9][CH2:8][c:7]2[cH:6][cH:5][cH:4][c:3]([O:2][CH3:1])[cH:18]2)[CH2:11][CH2:12][CH2:13][CH2:14]1>CCN(CC)CC.ClCCl.O=C(O)O.[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([CH2:8][CH2:9][N:10]2[CH2:11][CH2:12][CH2:13][CH2:14][C@@H:15]([Cl:16])[CH2:17]2)[cH:18]1 JPCTUVFUXXNZPU-CQSZACIVSA-N.QARBMVPHQWIHKH-UHFFFAOYSA-N>>LKGQRLQQAISZRY-CQSZACIVSA-N 0.0 Unrecognized False stereospecific False [C:6]-[N;H0;D3;+0:5](-[C:7])-[CH2;D2;+0:2]-[C@@H;D3;+0:3](-[C:4])-[Cl;H0;D1;+0:1]>>C-S(=O)(=O)-[Cl;H0;D1;+0:1].O-[CH2;D2;+0:2]-[C@@H;D3;+0:3](-[C:4])-[N;H0;D3;+0:5](-[C:6])-[C:7] e454cc07ec26e0f38ebd81acd400615d8fb30307d9c63b09f15bc31b8241d693 CS(=O)(=O)[Cl:16].O[CH2:17][C@@H:15]1[N:10]([CH2:9][CH2:8][CH2:7][c:6]2[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:19][cH:18]2)[CH2:11][CH2:12][CH2:13][CH2:14]1>CCN(CC)CC.ClCCl.O=C(O)O.[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][CH2:8][CH2:9][N:10]2[CH2:11][CH2:12][CH2:13][CH2:14][C@@H:15]([Cl:16])[CH2:17]2)[cH:18][cH:19]1 DAESQZCRMIVOJX-OAHLLOKOSA-N.QARBMVPHQWIHKH-UHFFFAOYSA-N>>DYWYLVJFEGWQIQ-OAHLLOKOSA-N 0.0 Unrecognized False stereospecific False [C:6]-[N;H0;D3;+0:5](-[C:7])-[CH2;D2;+0:2]-[C@@H;D3;+0:3](-[C:4])-[Cl;H0;D1;+0:1]>>C-S(=O)(=O)-[Cl;H0;D1;+0:1].O-[CH2;D2;+0:2]-[C@@H;D3;+0:3](-[C:4])-[N;H0;D3;+0:5](-[C:6])-[C:7] e454cc07ec26e0f38ebd81acd400615d8fb30307d9c63b09f15bc31b8241d693 ClC[Cl:1].O[CH2:19][C@H:2]1[CH2:3][CH2:4][CH2:5][CH2:6][N:7]1[CH2:8][CH2:9][c:10]1[cH:11][c:12]2[c:13]([cH:14][cH:15]1)[O:16][CH2:17][O:18]2>CCN(CC)CC.CS(=O)(=O)Cl.O=C(O)O.[Na+]>[Cl:1][C@@H:2]1[CH2:3][CH2:4][CH2:5][CH2:6][N:7]([CH2:8][CH2:9][c:10]2[cH:11][c:12]3[c:13]([cH:14][cH:15]2)[O:16][CH2:17][O:18]3)[CH2:19]1 RTRMKESQZQGCGC-CYBMUJFWSA-N.YMWUJEATGCHHMB-UHFFFAOYSA-N>>STABZQJHUBZUGI-CYBMUJFWSA-N 0.0 Unrecognized False stereospecific False [C:4]-[C@@H;D3;+0:3](-[Cl;H0;D1;+0:1])-[CH2;D2;+0:2]-[N;H0;D3;+0:5](-[C:6])-[C:7]>>Cl-C-[Cl;H0;D1;+0:1].O-[CH2;D2;+0:2]-[C@@H;D3;+0:3](-[C:4])-[N;H0;D3;+0:5](-[C:6])-[C:7] 486dc7839d2ef91275fd8a1b28975f589c90b3ff067959ebfef5e74a40db08cb ClC[Cl:14].O[CH2:15][C@@H:13]1[N:8]([CH2:7][CH2:6][c:5]2[cH:4][cH:3][c:2]([Cl:1])[cH:17][cH:16]2)[CH2:9][CH2:10][CH2:11][CH2:12]1>CCN(CC)CC.CS(=O)(=O)Cl.O=C(O)O.[Na+]>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][N:8]2[CH2:9][CH2:10][CH2:11][CH2:12][C@@H:13]([Cl:14])[CH2:15]2)[cH:16][cH:17]1 IWNVLPWXOXJAFV-CQSZACIVSA-N.YMWUJEATGCHHMB-UHFFFAOYSA-N>>URNBTVCCJGFEBA-CQSZACIVSA-N 0.0 Unrecognized False stereospecific False [C:4]-[C@@H;D3;+0:3](-[Cl;H0;D1;+0:1])-[CH2;D2;+0:2]-[N;H0;D3;+0:5](-[C:6])-[C:7]>>Cl-C-[Cl;H0;D1;+0:1].O-[CH2;D2;+0:2]-[C@@H;D3;+0:3](-[C:4])-[N;H0;D3;+0:5](-[C:6])-[C:7] 486dc7839d2ef91275fd8a1b28975f589c90b3ff067959ebfef5e74a40db08cb CS(=O)(=O)[Cl:16].O[CH2:17][C@@H:15]1[N:10]([CH2:9][CH2:8][c:7]2[cH:6][cH:5][c:4]([N:2]([CH3:1])[CH3:3])[cH:19][cH:18]2)[CH2:11][CH2:12][CH2:13][CH2:14]1>CCN(CC)CC.ClCCl.O=C(O)O.[Na+]>[CH3:1][N:2]([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][CH2:9][N:10]2[CH2:11][CH2:12][CH2:13][CH2:14][C@@H:15]([Cl:16])[CH2:17]2)[cH:18][cH:19]1 FZXCIWMHYUJYKF-MRXNPFEDSA-N.QARBMVPHQWIHKH-UHFFFAOYSA-N>>MTDPYHKBLNVLDD-OAHLLOKOSA-N 0.0 Unrecognized False stereospecific False [C:6]-[N;H0;D3;+0:5](-[C:7])-[CH2;D2;+0:2]-[C@@H;D3;+0:3](-[C:4])-[Cl;H0;D1;+0:1]>>C-S(=O)(=O)-[Cl;H0;D1;+0:1].O-[CH2;D2;+0:2]-[C@@H;D3;+0:3](-[C:4])-[N;H0;D3;+0:5](-[C:6])-[C:7] e454cc07ec26e0f38ebd81acd400615d8fb30307d9c63b09f15bc31b8241d693 [CH3:1][CH:2]([CH3:3])[c:4]1[cH:5][cH:6][c:7]([O:8][CH2:9][C:10](=[O:11])[N:12]2[C:13](=[O:14])[O:15][CH2:16][C@@H:17]2[CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:41][cH:42]1.[CH:25](=[O:26])[c:27]1[cH:28][cH:29][c:30]([O:31][CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][cH:40]1>CCCC[B+]CCCC.CCN(CC)CC.CO.ClCCl.O=S(=O)(O)C(F)(F)F.OO.Cl.[Na+]>[CH3:1][CH:2]([CH3:3])[c:4]1[cH:5][cH:6][c:7]([O:8][C@H:9]([C:10](=[O:11])[N:12]2[C:13](=[O:14])[O:15][CH2:16][C@@H:17]2[CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[C@H:25]([OH:26])[c:27]2[cH:28][cH:29][c:30]([O:31][CH2:32][c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[cH:39][cH:40]2)[cH:41][cH:42]1 UHWKEADGORYSPM-SFHVURJKSA-N.ZVTWZSXLLMNMQC-UHFFFAOYSA-N>>DBZMJPUQFGFBBQ-AOTRTPDYSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2](=[O;D1;H0:3])-[C@@H;D3;+0:4](-[#8:5])-[C@H;D3;+0:7](-[OH;D1;+0:6])-[c:8]>>[#7:1]-[C:2](=[O;D1;H0:3])-[CH2;D2;+0:4]-[#8:5].[O;H0;D1;+0:6]=[CH;D2;+0:7]-[c:8] 58d4fe80ba1c7a48ee1ec1c2337629c791732ab635be2fd1317597cb9bb5c92c [CH3:1][C@@H:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:9][CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:17][cH:18]1)[N:19]1[CH2:20][CH2:21][C:22]([OH:23])([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:30][CH2:31]1>CCO.O.B.[Li+]>[CH3:1][C@@H:2]([C@@H:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([O:9][CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:17][cH:18]1)[N:19]1[CH2:20][CH2:21][C:22]([OH:23])([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:30][CH2:31]1 LRXIEGZMKNGPLB-NRFANRHFSA-N>>KNKANBIFNHJEQO-HFZDXXHNSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 I[CH3:22].[CH3:1][O:2][C:3]1([O:4][CH3:5])[CH2:6][CH2:7][C:8]2=[C:9]([CH2:10][C@@H:11]([CH3:12])[C@@H:13]3[C@@H:14]2[CH2:15][CH2:16][C@:17]2([CH3:18])[C:19](=[O:20])[CH2:21][CH2:23][C@@H:24]32)[CH2:25]1>C1CCOC1.CN1CCCN(C)C1=O.C[Si](C)(C)N[Si](C)(C)C.O.Cl.[Li+].N>[CH3:1][O:2][C:3]1([O:4][CH3:5])[CH2:6][CH2:7][C:8]2=[C:9]([CH2:10][C@@H:11]([CH3:12])[C@@H:13]3[C@@H:14]2[CH2:15][CH2:16][C@:17]2([CH3:18])[C:19](=[O:20])[C@H:21]([CH3:22])[CH2:23][C@@H:24]32)[CH2:25]1 INQOMBQAUSQDDS-UHFFFAOYSA-N.RKALVZFWSBYRNC-HIHRSEIJSA-N>>BKGYZDHDPNBJIP-PFGOOLOPSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:3](-[CH3;D1;+0:1])-[C:4]=[O;D1;H0:5]>>I-[CH3;D1;+0:1].[C:2]-[CH2;D2;+0:3]-[C:4]=[O;D1;H0:5] 85f3a646db1700cf53c5252c538172623fbd09b9b1006f0e1dd891880f7e277c CS(=O)(=O)O[C@H:19]([CH2:18][CH2:17][CH2:16][CH2:15][n:14]1[c:12](=[O:13])[c:11]2[n:7]3[c:8]([n:9][c:10]2[n:26]([CH3:27])[c:24]1=[O:25])[N:4]([C:2]([CH3:1])=[O:3])[CH2:5][CH2:6]3)[CH3:20].[N-:21]=[N+:22]=[N-:23]>CS(C)=O.O.[Na+]>[CH3:1][C:2](=[O:3])[N:4]1[CH2:5][CH2:6][n:7]2[c:8]1[n:9][c:10]1[c:11]2[c:12](=[O:13])[n:14]([CH2:15][CH2:16][CH2:17][CH2:18][C@@H:19]([CH3:20])[N:21]=[N+:22]=[N-:23])[c:24](=[O:25])[n:26]1[CH3:27] IVRMZWNICZWHMI-UHFFFAOYSA-N.RSJDYORJIFWLAE-NSHDSACASA-N>>MDLSDGKEELXGJW-SNVBAGLBSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 492c430f48d637aab0c971721cb4d8366eed9f75b9bf7a9ee5b238cfd7eb0d61 [CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][c:8]1[OH:9])[CH2:10][CH:11]=[C:12]1[C@@H:13]2[CH2:14][CH2:15][C@:16]2([CH3:17])[C:18](=[O:19])[CH2:20][CH2:21][C@@H:22]12>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.CO.Cl.O.OO.[K+].[Li+].O>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][c:8]1[OH:9])[CH2:10][CH:11]=[C:12]1[C@@H:13]2[CH2:14][CH2:15][C@:16]2([CH3:17])[C@@H:18]([OH:19])[CH2:20][CH2:21][C@@H:22]12 SDAPOCMGOIRGRQ-ODYMNIRHSA-N>>GFGJZDFRKIRMAK-IHUDTTQWSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d O=[CH:16][c:17]1[cH:18][c:19]2[c:20]([cH:21][cH:22]1)[O:23][CH2:24][O:25]2.[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([CH2:6][c:7]1[cH:8][nH:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]12)[NH2:26]>ClCCl.O=C(O)C(F)(F)F>[CH3:1][O:2][C:3](=[O:4])[C@H:5]1[CH2:6][c:7]2[c:8]([nH:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]23)[C@@H:16]([c:17]2[cH:18][c:19]3[c:20]([cH:21][cH:22]2)[O:23][CH2:24][O:25]3)[NH:26]1 KCUNTYMNJVXYKZ-SNVBAGLBSA-N.SATCULPHIDQDRE-UHFFFAOYSA-N>>LIPVUDSNGRJSQE-CRAIPNDOSA-N 0.0 Unrecognized True substrate controlled False [nH;D2;+0:7]:[c;H0;D3;+0:6]1:[c;H0;D3;+0:5]-[CH2;D2;+0:4]-[C@@H;D3;+0:3]-[NH;D2;+0:2]-[C@@H;D3;+0:1]-1>>O=[CH;D2;+0:1].[NH2;D1;+0:2]-[C@@H;D3;+0:3]-[CH2;D2;+0:4]-[c;H0;D3;+0:5]:[cH;D2;+0:6]:[nH;D2;+0:7] a09504bb4cd728df12a549a3c79bd02dc8c890127c8e2adcf85c5eec01e9da55 Br[CH2:8][C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15].[CH3:1][CH2:2][CH2:3][C@@H:4]([CH3:5])[CH2:6][CH2:7][C:16](=[O:17])[N:18]1[C:19](=[O:20])[O:21][C@@H:22]([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[C@H:29]1[CH3:30]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.Cl.N.[Na+]>[CH3:1][CH2:2][CH2:3][C@@H:4]([CH3:5])[CH2:6][C@@H:7]([CH2:8][C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[C:16](=[O:17])[N:18]1[C:19](=[O:20])[O:21][C@@H:22]([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[C@H:29]1[CH3:30] BNWCETAHAJSBFG-UHFFFAOYSA-N.FZVVRHWEJSBBDM-CKEIUWERSA-N>>HUIHVTVFRDJFTM-PLOVASNDSA-N 0.0 Unrecognized False substrate controlled False [#7:9]-[C:10](=[O;D1;H0:11])-[C@@H;D3;+0:12](-[C:13])-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8]>>Br-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8].[#7:9]-[C:10](=[O;D1;H0:11])-[CH2;D2;+0:12]-[C:13] a722e3732220cc0dd3ad0db5e2d7ebdb7f98bc5cba08db31006e3b8456788b66 Br[CH2:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16].[CH3:1][CH2:2][CH2:3][CH2:4][C@@H:5]([CH3:6])[CH2:7][CH2:8][C:17](=[O:18])[N:19]1[C:20](=[O:21])[O:22][C@@H:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[C@H:30]1[CH3:31]>C1CCOC1.CC(C)NC(C)C.[Li]CCCC>[CH3:1][CH2:2][CH2:3][CH2:4][C@@H:5]([CH3:6])[CH2:7][C@@H:8]([CH2:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[C:17](=[O:18])[N:19]1[C:20](=[O:21])[O:22][C@@H:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[C@H:30]1[CH3:31] BNWCETAHAJSBFG-UHFFFAOYSA-N.QPCLKICBIFGGNH-IIDMSEBBSA-N>>BIRWKKXCRCFMKP-HROGELHOSA-N 0.0 Unrecognized False substrate controlled False [#7:9]-[C:10](=[O;D1;H0:11])-[C@@H;D3;+0:12](-[C:13])-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8]>>Br-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8].[#7:9]-[C:10](=[O;D1;H0:11])-[CH2;D2;+0:12]-[C:13] a722e3732220cc0dd3ad0db5e2d7ebdb7f98bc5cba08db31006e3b8456788b66 Br[CH2:3][c:4]1[cH:5][c:6]2[n:7][s:8][n:9][c:10]2[cH:11][cH:12]1.[CH3:1][CH2:2][C:13](=[O:14])[N:15]([CH3:16])[C@H:17]([CH3:18])[C@H:19]([OH:20])[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1>C1CCOC1.CC(C)NC(C)C.CCOC(C)=O.O.Cl.[Li+].N>[CH3:1][C@@H:2]([CH2:3][c:4]1[cH:5][c:6]2[n:7][s:8][n:9][c:10]2[cH:11][cH:12]1)[C:13](=[O:14])[N:15]([CH3:16])[C@H:17]([CH3:18])[C@H:19]([OH:20])[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1 JEPACAAYCVWCFI-UHFFFAOYSA-N.NOUIRZGGWSLLAJ-MFKMUULPSA-N>>BGQSOXANJRWNAC-KSMMKXTCSA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[C;D1;H3:7])-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]-[C:4](=[O;D1;H0:5])-[CH2;D2;+0:6]-[C;D1;H3:7] f5b34d4e85989cf9c6bd7da35887728ff2172ffe1e9da70d2e850fb1076c7320 [CH3:1][CH2:2][O:3][CH2:4][C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[CH:20](=[O:21])[c:22]1[cH:23][c:24]([CH3:25])[c:26]([O:27][CH2:28][CH2:29][c:30]2[c:31]([CH3:32])[o:33][c:34](-[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[n:41]2)[cH:42][cH:43]1>CCCCB(CCCC)OS(=O)(=O)C(F)(F)F>[CH3:1][CH2:2][O:3][C@H:4]([C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[C@H:20]([OH:21])[c:22]1[cH:23][c:24]([CH3:25])[c:26]([O:27][CH2:28][CH2:29][c:30]2[c:31]([CH3:32])[o:33][c:34](-[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[n:41]2)[cH:42][cH:43]1 UZCXCVNBSPOTNE-LBPRGKRZSA-N.WQMFMUXUSKUPGA-UHFFFAOYSA-N>>LGVGJRRASCALHL-XTHXZNCLSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2](=[O;D1;H0:3])-[C@@H;D3;+0:4](-[#8:5])-[C@H;D3;+0:7](-[OH;D1;+0:6])-[c:8]>>[#7:1]-[C:2](=[O;D1;H0:3])-[CH2;D2;+0:4]-[#8:5].[O;H0;D1;+0:6]=[CH;D2;+0:7]-[c:8] 58d4fe80ba1c7a48ee1ec1c2337629c791732ab635be2fd1317597cb9bb5c92c [CH3:1][CH:2]([CH3:3])[CH2:4][CH2:5][CH2:6][C@@H:7]([CH3:8])[C:9]1=[CH:10][CH2:11][C@H:12]2[C@@H:13]3[CH2:14][CH:15]=[C:16]4[C:17]([CH3:18])([CH3:19])[C:20](=[O:21])[CH2:22][CH2:23][C@:24]4([CH3:25])[C@H:26]3[CH2:27][CH2:28][C@:29]12[CH3:30]>CCOCC.O.[Al+3].[HH].[HH].[HH].[HH].[Li+]>[CH3:1][CH:2]([CH3:3])[CH2:4][CH2:5][CH2:6][C@@H:7]([CH3:8])[C:9]1=[CH:10][CH2:11][C@H:12]2[C@@H:13]3[CH2:14][CH:15]=[C:16]4[C:17]([CH3:18])([CH3:19])[C@@H:20]([OH:21])[CH2:22][CH2:23][C@:24]4([CH3:25])[C@H:26]3[CH2:27][CH2:28][C@:29]12[CH3:30] UDIAZTROZMODFX-KJWKPOMTSA-N>>IMTHMIYUTKYXGX-VYDDDCDNSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[C:1]=[C:2]-[C:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] a151f5e9b802151b9faa8b0e95d37e4b20ecdf5020ffa32b2705f9b7a2e484eb O[CH2:34][CH:14]([CH2:13][OH:12])[S:15][C@H:16]([CH3:17])[C@:18]([OH:19])([CH2:20][n:21]1[cH:22][n:23][cH:24][n:25]1)[c:26]1[c:27]([F:28])[cH:29][c:30]([F:31])[cH:32][cH:33]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[cH:8][cH:9][c:10]([CH:11]=[O:35])[cH:36][c:37]2[cH:38][cH:39]1>C1CCOC1.Cc1ccc(S(=O)(=O)O)cc1.O>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[cH:8][cH:9][c:10]([C@H:11]3[O:12][CH2:13][C@H:14]([S:15][C@H:16]([CH3:17])[C@:18]([OH:19])([CH2:20][n:21]4[cH:22][n:23][cH:24][n:25]4)[c:26]4[c:27]([F:28])[cH:29][c:30]([F:31])[cH:32][cH:33]4)[CH2:34][O:35]3)[cH:36][c:37]2[cH:38][cH:39]1 RHOUYXUGJXVYJF-UHFFFAOYSA-N.SQMIRNSTHPHKKB-MEBBXXQBSA-N>>HLSRCSIVTLUHEF-YUBLFUFYSA-N 0.0 Unrecognized True substrate controlled False [S;H0;D2;+0:3]-[C@H;D3;+0:2]1-[CH2;D2;+0:4]-[O;H0;D2;+0:5]-[C@@H;D3;+0:6]-[O;H0;D2;+0:7]-[CH2;D2;+0:1]-1>>O-[CH2;D2;+0:1]-[CH;D3;+0:2](-[S;H0;D2;+0:3])-[CH2;D2;+0:4]-[OH;D1;+0:5].[CH;D2;+0:6]=[O;H0;D1;+0:7] 9d47acf1ce73c04b61454025af6cabfd65b9f44c6f8e9b49719deac760327c37 O[CH2:25][CH:4]([S:3][C@H:2]([CH3:1])[C@:26]([OH:27])([CH2:28][n:29]1[cH:30][n:31][cH:32][n:33]1)[c:34]1[c:35]([F:36])[cH:37][c:38]([F:39])[cH:40][cH:41]1)[CH2:5][OH:6].[CH:7]([c:8]1[cH:9][cH:10][c:11]([C:12](=[O:13])[NH:14][c:15]2[cH:16][cH:17][c:18]([Cl:19])[cH:20][cH:21]2)[cH:22][cH:23]1)=[O:24]>Cc1ccc(S(=O)(=O)O)cc1.O>[CH3:1][C@@H:2]([S:3][C@H:4]1[CH2:5][O:6][C@H:7]([c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[NH:14][c:15]3[cH:16][cH:17][c:18]([Cl:19])[cH:20][cH:21]3)[cH:22][cH:23]2)[O:24][CH2:25]1)[C@:26]([OH:27])([CH2:28][n:29]1[cH:30][n:31][cH:32][n:33]1)[c:34]1[c:35]([F:36])[cH:37][c:38]([F:39])[cH:40][cH:41]1 IQZQJLOYIMLNPX-UHFFFAOYSA-N.SQMIRNSTHPHKKB-MEBBXXQBSA-N>>FHINQZHHKMOGRA-ZNYRXGILSA-N 0.0 Unrecognized True substrate controlled False [S;H0;D2;+0:3]-[C@@H;D3;+0:2]1-[CH2;D2;+0:1]-[O;H0;D2;+0:7]-[C@H;D3;+0:6]-[O;H0;D2;+0:5]-[CH2;D2;+0:4]-1>>O-[CH2;D2;+0:1]-[CH;D3;+0:2](-[S;H0;D2;+0:3])-[CH2;D2;+0:4]-[OH;D1;+0:5].[CH;D2;+0:6]=[O;H0;D1;+0:7] 9d47acf1ce73c04b61454025af6cabfd65b9f44c6f8e9b49719deac760327c37 O[CH2:25][CH:4]([S:3][C@H:2]([CH3:1])[C@:26]([OH:27])([CH2:28][n:29]1[cH:30][n:31][cH:32][n:33]1)[c:34]1[c:35]([F:36])[cH:37][c:38]([F:39])[cH:40][cH:41]1)[CH2:5][OH:6].[CH:7]([c:8]1[cH:9][cH:10][c:11]([C:12](=[O:13])[NH:14][c:15]2[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]2)[cH:22][cH:23]1)=[O:24]>Cc1ccc(S(=O)(=O)O)cc1.O>[CH3:1][C@@H:2]([S:3][C@H:4]1[CH2:5][O:6][C@H:7]([c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[NH:14][c:15]3[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]3)[cH:22][cH:23]2)[O:24][CH2:25]1)[C@:26]([OH:27])([CH2:28][n:29]1[cH:30][n:31][cH:32][n:33]1)[c:34]1[c:35]([F:36])[cH:37][c:38]([F:39])[cH:40][cH:41]1 PHWIQAVIPXPNMK-UHFFFAOYSA-N.SQMIRNSTHPHKKB-MEBBXXQBSA-N>>JCSWQUFZOSQUEO-ZNYRXGILSA-N 0.0 Unrecognized True substrate controlled False [S;H0;D2;+0:3]-[C@@H;D3;+0:2]1-[CH2;D2;+0:1]-[O;H0;D2;+0:7]-[C@H;D3;+0:6]-[O;H0;D2;+0:5]-[CH2;D2;+0:4]-1>>O-[CH2;D2;+0:1]-[CH;D3;+0:2](-[S;H0;D2;+0:3])-[CH2;D2;+0:4]-[OH;D1;+0:5].[CH;D2;+0:6]=[O;H0;D1;+0:7] 9d47acf1ce73c04b61454025af6cabfd65b9f44c6f8e9b49719deac760327c37 O[CH2:24][CH:4]([S:3][C@H:2]([CH3:1])[C@:25]([OH:26])([CH2:27][n:28]1[cH:29][n:30][cH:31][n:32]1)[c:33]1[c:34]([F:35])[cH:36][c:37]([F:38])[cH:39][cH:40]1)[CH2:5][OH:6].[CH:7]([c:8]1[cH:9][cH:10][c:11]([C:12](=[O:13])[NH:14][c:15]2[cH:16][cH:17][n:18][cH:19][cH:20]2)[cH:21][cH:22]1)=[O:23]>Cc1ccc(S(=O)(=O)O)cc1.O>[CH3:1][C@@H:2]([S:3][C@H:4]1[CH2:5][O:6][C@H:7]([c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[NH:14][c:15]3[cH:16][cH:17][n:18][cH:19][cH:20]3)[cH:21][cH:22]2)[O:23][CH2:24]1)[C@:25]([OH:26])([CH2:27][n:28]1[cH:29][n:30][cH:31][n:32]1)[c:33]1[c:34]([F:35])[cH:36][c:37]([F:38])[cH:39][cH:40]1 BCHJWHNOEMKFGE-UHFFFAOYSA-N.SQMIRNSTHPHKKB-MEBBXXQBSA-N>>CCPBRTFETJQGLK-UGASSSMESA-N 0.0 Unrecognized True substrate controlled False [S;H0;D2;+0:3]-[C@@H;D3;+0:2]1-[CH2;D2;+0:1]-[O;H0;D2;+0:7]-[C@H;D3;+0:6]-[O;H0;D2;+0:5]-[CH2;D2;+0:4]-1>>O-[CH2;D2;+0:1]-[CH;D3;+0:2](-[S;H0;D2;+0:3])-[CH2;D2;+0:4]-[OH;D1;+0:5].[CH;D2;+0:6]=[O;H0;D1;+0:7] 9d47acf1ce73c04b61454025af6cabfd65b9f44c6f8e9b49719deac760327c37 O[CH2:38][CH:18]([CH2:17][OH:16])[S:19][C@H:20]([CH3:21])[C@:22]([OH:23])([CH2:24][n:25]1[cH:26][n:27][cH:28][n:29]1)[c:30]1[c:31]([F:32])[cH:33][c:34]([F:35])[cH:36][cH:37]1.[CH3:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([NH:8][C:9](=[O:10])[c:11]2[cH:12][cH:13][c:14]([CH:15]=[O:39])[cH:40][cH:41]2)[cH:42][cH:43]1>Cc1ccc(S(=O)(=O)O)cc1.O>[CH3:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([NH:8][C:9](=[O:10])[c:11]2[cH:12][cH:13][c:14]([C@H:15]3[O:16][CH2:17][C@H:18]([S:19][C@H:20]([CH3:21])[C@:22]([OH:23])([CH2:24][n:25]4[cH:26][n:27][cH:28][n:29]4)[c:30]4[c:31]([F:32])[cH:33][c:34]([F:35])[cH:36][cH:37]4)[CH2:38][O:39]3)[cH:40][cH:41]2)[cH:42][cH:43]1 AHCWXRWZBWYAFF-UHFFFAOYSA-N.SQMIRNSTHPHKKB-MEBBXXQBSA-N>>JDQDANWGQPFVAC-PCEDXAOKSA-N 0.0 Unrecognized True substrate controlled False [S;H0;D2;+0:3]-[C@H;D3;+0:2]1-[CH2;D2;+0:4]-[O;H0;D2;+0:5]-[C@@H;D3;+0:6]-[O;H0;D2;+0:7]-[CH2;D2;+0:1]-1>>O-[CH2;D2;+0:1]-[CH;D3;+0:2](-[S;H0;D2;+0:3])-[CH2;D2;+0:4]-[OH;D1;+0:5].[CH;D2;+0:6]=[O;H0;D1;+0:7] 9d47acf1ce73c04b61454025af6cabfd65b9f44c6f8e9b49719deac760327c37 O[CH2:27][CH:4]([S:3][C@H:2]([CH3:1])[C@:28]([OH:29])([CH2:30][n:31]1[cH:32][n:33][cH:34][n:35]1)[c:36]1[c:37]([F:38])[cH:39][c:40]([F:41])[cH:42][cH:43]1)[CH2:5][OH:6].[CH:7]([c:8]1[cH:9][cH:10][c:11]([C:12](=[O:13])[NH:14][CH2:15][c:16]2[cH:17][cH:18][c:19]([C:20]#[N:21])[cH:22][cH:23]2)[cH:24][cH:25]1)=[O:26]>Cc1ccc(S(=O)(=O)O)cc1.O>[CH3:1][C@@H:2]([S:3][C@H:4]1[CH2:5][O:6][C@H:7]([c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[NH:14][CH2:15][c:16]3[cH:17][cH:18][c:19]([C:20]#[N:21])[cH:22][cH:23]3)[cH:24][cH:25]2)[O:26][CH2:27]1)[C@:28]([OH:29])([CH2:30][n:31]1[cH:32][n:33][cH:34][n:35]1)[c:36]1[c:37]([F:38])[cH:39][c:40]([F:41])[cH:42][cH:43]1 LJXQTEYPNRLUNF-UHFFFAOYSA-N.SQMIRNSTHPHKKB-MEBBXXQBSA-N>>ABKSXBBUQZMQBS-PCEDXAOKSA-N 0.0 Unrecognized True substrate controlled False [S;H0;D2;+0:3]-[C@@H;D3;+0:2]1-[CH2;D2;+0:1]-[O;H0;D2;+0:7]-[C@H;D3;+0:6]-[O;H0;D2;+0:5]-[CH2;D2;+0:4]-1>>O-[CH2;D2;+0:1]-[CH;D3;+0:2](-[S;H0;D2;+0:3])-[CH2;D2;+0:4]-[OH;D1;+0:5].[CH;D2;+0:6]=[O;H0;D1;+0:7] 9d47acf1ce73c04b61454025af6cabfd65b9f44c6f8e9b49719deac760327c37 O[CH2:23][CH:4]([S:3][C@H:2]([CH3:1])[C@:24]([OH:25])([CH2:26][n:27]1[cH:28][n:29][cH:30][n:31]1)[c:32]1[c:33]([F:34])[cH:35][c:36]([F:37])[cH:38][cH:39]1)[CH2:5][OH:6].[CH:7]([c:8]1[cH:9][cH:10][c:11]([C:12](=[O:13])[NH:14][c:15]2[n:16][cH:17][cH:18][s:19]2)[cH:20][cH:21]1)=[O:22]>Cc1ccc(S(=O)(=O)O)cc1.O>[CH3:1][C@@H:2]([S:3][C@H:4]1[CH2:5][O:6][C@H:7]([c:8]2[cH:9][cH:10][c:11]([C:12](=[O:13])[NH:14][c:15]3[n:16][cH:17][cH:18][s:19]3)[cH:20][cH:21]2)[O:22][CH2:23]1)[C@:24]([OH:25])([CH2:26][n:27]1[cH:28][n:29][cH:30][n:31]1)[c:32]1[c:33]([F:34])[cH:35][c:36]([F:37])[cH:38][cH:39]1 SQMIRNSTHPHKKB-MEBBXXQBSA-N.ZEHWRYDIFIJIKP-UHFFFAOYSA-N>>TWRRJJXUIZSADE-KIZOFLENSA-N 0.0 Unrecognized True substrate controlled False [S;H0;D2;+0:3]-[C@@H;D3;+0:2]1-[CH2;D2;+0:1]-[O;H0;D2;+0:7]-[C@H;D3;+0:6]-[O;H0;D2;+0:5]-[CH2;D2;+0:4]-1>>O-[CH2;D2;+0:1]-[CH;D3;+0:2](-[S;H0;D2;+0:3])-[CH2;D2;+0:4]-[OH;D1;+0:5].[CH;D2;+0:6]=[O;H0;D1;+0:7] 9d47acf1ce73c04b61454025af6cabfd65b9f44c6f8e9b49719deac760327c37 [CH3:1][C@H:2]([CH2:3][CH2:4][C:5](=[O:6])[OH:7])[C@H:8]1[CH2:9][CH2:10][C@H:11]2[C@@H:12]3[CH2:13][CH2:14][C@@H:15]4[CH2:16][C:17](=[O:18])[CH2:19][CH2:20][C@:21]4([CH3:22])[C@H:23]3[CH2:24][CH2:25][C@:26]12[CH3:27]>C1CCOC1.CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C.[Li+]>[CH3:1][C@H:2]([CH2:3][CH2:4][C:5](=[O:6])[OH:7])[C@H:8]1[CH2:9][CH2:10][C@H:11]2[C@@H:12]3[CH2:13][CH2:14][C@@H:15]4[CH2:16][C@H:17]([OH:18])[CH2:19][CH2:20][C@:21]4([CH3:22])[C@H:23]3[CH2:24][CH2:25][C@:26]12[CH3:27] KIQFUORWRVZTHT-OPTMKGCMSA-N>>SMEROWZSTRWXGI-HVATVPOCSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 Br[CH2:7][C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14].[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C:15](=[O:16])[N:17]1[C:18](=[O:19])[O:20][CH2:21][C@@H:22]1[CH:23]([CH3:24])[CH3:25]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.Cl.[Li+].N>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C@@H:6]([CH2:7][C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[C:15](=[O:16])[N:17]1[C:18](=[O:19])[O:20][CH2:21][C@@H:22]1[CH:23]([CH3:24])[CH3:25] BNWCETAHAJSBFG-UHFFFAOYSA-N.NQPAXHBLTMWQLS-LLVKDONJSA-N>>WUJMQRANTBDPAP-LSDHHAIUSA-N 0.0 Unrecognized False substrate controlled False [#7:9]-[C:10](=[O;D1;H0:11])-[C@@H;D3;+0:12](-[C:13])-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8]>>Br-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8].[#7:9]-[C:10](=[O;D1;H0:11])-[CH2;D2;+0:12]-[C:13] a722e3732220cc0dd3ad0db5e2d7ebdb7f98bc5cba08db31006e3b8456788b66 [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][N:10]([CH3:11])[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][C@@H:17]1[CH2:18][c:19]2[c:20]([cH:21][cH:22][c:23]([OH:24])[cH:25]2)[C@H:26]2[C@@H:27]([F:28])[CH2:29][C@:30]3([CH3:31])[C:32](=[O:33])[CH2:34][CH2:35][C@H:36]3[C@H:37]12>CO.B.Cl.[Na+].[Na+]>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][N:10]([CH3:11])[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][C@@H:17]1[CH2:18][c:19]2[c:20]([cH:21][cH:22][c:23]([OH:24])[cH:25]2)[C@H:26]2[C@@H:27]([F:28])[CH2:29][C@:30]3([CH3:31])[C@@H:32]([OH:33])[CH2:34][CH2:35][C@H:36]3[C@H:37]12 WKIALJLXTQBQCM-FQJQHNOXSA-N>>VFZYGTSOWLFHJZ-RLHKCQNWSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][N:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C:10]([F:11])([F:12])[C:13]([F:14])([F:15])[F:16])[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][C@@H:23]1[CH2:24][c:25]2[c:26]([cH:27][cH:28][c:29]([OH:30])[cH:31]2)[C@H:32]2[C@@H:33]([F:34])[CH2:35][C@:36]3([CH3:37])[C:38](=[O:39])[CH2:40][CH2:41][C@H:42]3[C@H:43]12>CCO.B.Cl.[Na+].[Na+]>[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][C:10]([F:11])([F:12])[C:13]([F:14])([F:15])[F:16])[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][C@@H:23]1[CH2:24][c:25]2[c:26]([cH:27][cH:28][c:29]([OH:30])[cH:31]2)[C@H:32]2[C@@H:33]([F:34])[CH2:35][C@:36]3([CH3:37])[C@@H:38]([OH:39])[CH2:40][CH2:41][C@H:42]3[C@H:43]12 ZZYKTGWWJNSFRH-CALJZLOZSA-N>>GEUUOJZBIAWDBE-CUICDERCSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][N:2]([CH2:3][CH:4]=[C:5]([F:6])[C:7]([F:8])([F:9])[C:10]([F:11])([F:12])[F:13])[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C@@H:19]1[CH2:20][c:21]2[c:22]([cH:23][cH:24][c:25]([OH:26])[cH:27]2)[C@H:28]2[C@@H:29]([F:30])[CH2:31][C@:32]3([CH3:33])[C:34](=[O:35])[CH2:36][CH2:37][C@H:38]3[C@H:39]12>CO.B.Cl.[Na+].[Na+]>[CH3:1][N:2]([CH2:3][CH:4]=[C:5]([F:6])[C:7]([F:8])([F:9])[C:10]([F:11])([F:12])[F:13])[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C@@H:19]1[CH2:20][c:21]2[c:22]([cH:23][cH:24][c:25]([OH:26])[cH:27]2)[C@H:28]2[C@@H:29]([F:30])[CH2:31][C@:32]3([CH3:33])[C@@H:34]([OH:35])[CH2:36][CH2:37][C@H:38]3[C@H:39]12 WPQLXURWMPXEEE-IMHVCFKESA-N>>TWAAGIXZHBMCDV-SZBNADCNSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [N:1]#[C:2][CH2:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1>CCN(CC)CC.Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1.O.O=CO.Cl.[Ru+2]>[N:1]#[C:2][CH2:3][C@H:4]([OH:5])[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1 ZJRCIQAMTAINCB-UHFFFAOYSA-N>>HILDHWAXSORHRZ-VIFPVBQESA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][O:2][CH2:3][c:4]1[cH:5][n:6]2[c:7]([n:8][c:9]([CH3:10])[c:11]2[CH3:12])[c:13]2[c:14]1[C:15](=[O:16])[C@H:17]([OH:18])[C@@H:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[NH:26]2>CO.B.[Na+]>[CH3:1][O:2][CH2:3][c:4]1[cH:5][n:6]2[c:7]([n:8][c:9]([CH3:10])[c:11]2[CH3:12])[c:13]2[c:14]1[C@H:15]([OH:16])[C@H:17]([OH:18])[C@@H:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[NH:26]2 BQFLYCMRYKEWJD-VQIMIIECSA-N>>VLLWHYWCIHYIAT-NZSAHSFTSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][O:2][CH2:3][c:4]1[cH:5][n:6]2[c:7]([n:8][c:9]([CH3:10])[c:11]2[CH3:12])[c:13]2[c:14]1[C:15](=[O:16])[C@H:17]([OH:18])[C@@H:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[NH:26]2>B.[Na+]>[CH3:1][O:2][CH2:3][c:4]1[cH:5][n:6]2[c:7]([n:8][c:9]([CH3:10])[c:11]2[CH3:12])[c:13]2[c:14]1[C@@H:15]([OH:16])[C@H:17]([OH:18])[C@@H:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[NH:26]2 BQFLYCMRYKEWJD-VQIMIIECSA-N>>VLLWHYWCIHYIAT-BHIYHBOVSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c O[C@H:18]([CH2:17][n:16]1[n:15][cH:14][c:13]2[cH:12][cH:11][c:10]3[c:24]([c:23]21)[CH2:25][CH:7]([O:6][CH:4]([O:3][CH2:2][CH3:1])[CH3:5])[CH2:8][O:9]3)[CH3:19].[N-:20]=[N+:21]=[N-:22]>C1CCOC1.CCN(CC)CC.CS(=O)(=O)OS(C)(=O)=O.[Na+]>[CH3:1][CH2:2][O:3][CH:4]([CH3:5])[O:6][CH:7]1[CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]3[cH:14][n:15][n:16]([CH2:17][C@@H:18]([CH3:19])[N:20]=[N+:21]=[N-:22])[c:23]3[c:24]2[CH2:25]1 IVRMZWNICZWHMI-UHFFFAOYSA-N.YCTDRJQVLQFNFB-DCBWTQNWSA-N>>FDWYIJXNKOLWLM-LKSINWNRSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 9128891bb9417aaeeffb60ae1360f160db9769bc59ca497e3cb357823fcb8ac8 O[C@H:2]([CH3:1])[CH2:3][n:4]1[n:5][cH:6][c:7]2[cH:8][cH:9][c:10]3[c:15]([c:16]12)[CH:14]=[CH:13][CH2:12][O:11]3.[N-:17]=[N+:18]=[N-:19]>C1CCOC1.CCN(CC)CC.CS(=O)(=O)OS(C)(=O)=O.[Na+]>[CH3:1][C@@H:2]([CH2:3][n:4]1[n:5][cH:6][c:7]2[cH:8][cH:9][c:10]3[c:15]([c:16]12)[CH:14]=[CH:13][CH2:12][O:11]3)[N:17]=[N+:18]=[N-:19] BTUYBCHBKQNIEO-SECBINFHSA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>UJAVIJBTZJOUEP-VIFPVBQESA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@H:2]([CH3:1])[CH2:3][n:4]1[n:5][cH:6][c:7]2[cH:8][cH:9][c:10]3[c:24]([c:25]12)[CH2:23][C@@H:13]([O:14][CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:12][O:11]3.[N-:26]=[N+:27]=[N-:28]>C1CCOC1.CCN(CC)CC.CS(=O)(=O)OS(C)(=O)=O.[Na+]>[CH3:1][C@@H:2]([CH2:3][n:4]1[n:5][cH:6][c:7]2[cH:8][cH:9][c:10]3[c:24]([c:25]12)[CH2:23][C@@H:13]([O:14][CH2:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:12][O:11]3)[N:26]=[N+:27]=[N-:28] BOIMBRCIOYVGHJ-TZMCWYRMSA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>GGPVRIBLAWXCER-GXTWGEPZSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a [N:1]#[C:2][CH2:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1>CCN(CC)CC.Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1.O.O=CO.Cl.[Ru+2]>[N:1]#[C:2][CH2:3][C@H:4]([OH:5])[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1 ZJRCIQAMTAINCB-UHFFFAOYSA-N>>HILDHWAXSORHRZ-VIFPVBQESA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 O[C@@H:19]([CH2:18][n:17]1[n:16][cH:15][c:14]2[cH:13][cH:12][c:11]3[c:25]([c:24]21)[CH2:26][C@@H:8]([O:7][CH2:6][CH2:5][NH:4][C:2]([CH3:1])=[O:3])[CH2:9][O:10]3)[CH3:20].[N-:21]=[N+:22]=[N-:23]>C1CCOC1.CCN(CC)CC.CS(=O)(=O)OS(C)(=O)=O.[Na+]>[CH3:1][C:2](=[O:3])[NH:4][CH2:5][CH2:6][O:7][C@H:8]1[CH2:9][O:10][c:11]2[cH:12][cH:13][c:14]3[cH:15][n:16][n:17]([CH2:18][C@H:19]([CH3:20])[N:21]=[N+:22]=[N-:23])[c:24]3[c:25]2[CH2:26]1 IVRMZWNICZWHMI-UHFFFAOYSA-N.NNUPBRUFGPNICI-BXUZGUMPSA-N>>LSGFMGRIZSARSH-SMDDNHRTSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@H:2]([CH3:1])[CH2:3][c:4]1[n:5][nH:6][c:7]2[c:8]1[c:9]1[c:10]([cH:11][cH:12]2)[O:13][CH2:14][CH:15]=[CH:16]1.[N-:17]=[N+:18]=[N-:19]>C1CCOC1.CCN(CC)CC.CS(=O)(=O)OS(C)(=O)=O.[Na+]>[CH3:1][C@@H:2]([CH2:3][c:4]1[n:5][nH:6][c:7]2[c:8]1[c:9]1[c:10]([cH:11][cH:12]2)[O:13][CH2:14][CH:15]=[CH:16]1)[N:17]=[N+:18]=[N-:19] FAZNJJNANHBGFL-MRVPVSSYSA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>WEQADERKCLHYDO-QMMMGPOBSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a I[CH3:17].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C@H:9]1[CH2:10][CH2:11][C@:12]3([CH3:13])[C:14](=[O:15])[CH2:16][C@H:18]4[CH2:19][C@@:20]34[C@@H:21]1[C@H:22]([CH3:23])[CH2:24]2>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.Cl.[Li+].N>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C@H:9]1[CH2:10][CH2:11][C@:12]3([CH3:13])[C:14](=[O:15])[C@H:16]([CH3:17])[C@H:18]4[CH2:19][C@@:20]34[C@@H:21]1[C@H:22]([CH3:23])[CH2:24]2 GAOCVHOCTJGOJP-PLTAXYNVSA-N.INQOMBQAUSQDDS-UHFFFAOYSA-N>>UXESHCUCHOPLBB-YVSDIXGNSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:3](-[CH3;D1;+0:1])-[C:4]=[O;D1;H0:5]>>I-[CH3;D1;+0:1].[C:2]-[CH2;D2;+0:3]-[C:4]=[O;D1;H0:5] 85f3a646db1700cf53c5252c538172623fbd09b9b1006f0e1dd891880f7e277c O[C@@H:7]([CH2:8][N:9]1[CH2:10][CH2:11][CH:12]([c:13]2[cH:14][cH:15][cH:16][c:17]([NH:18][C:19](=[O:20])[CH:21]([CH3:22])[CH3:23])[cH:24]2)[CH2:25][CH2:26]1)[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[CH3:1][C:2](=[O:3])[c:4]1[c:5]([OH:6])[cH:33][cH:34][cH:35][cH:36]1>>[CH3:1][C:2](=[O:3])[c:4]1[c:5]([O:6][C@H:7]([CH2:8][N:9]2[CH2:10][CH2:11][CH:12]([c:13]3[cH:14][cH:15][cH:16][c:17]([NH:18][C:19](=[O:20])[CH:21]([CH3:22])[CH3:23])[cH:24]3)[CH2:25][CH2:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34][cH:35][cH:36]1 ICNCTSMNIRBKNR-QFIPXVFZSA-N.JECYUBVRTQDVAT-UHFFFAOYSA-N>>RVKFZTNHULVIBL-SSEXGKCCSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de [O:1]=[S:2](=[O:3])([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[C@@H:10]1[CH2:11][C@@:12]2([c:13]3[cH:14][cH:15][c:16]([F:17])[cH:18][cH:19]3)[C:20](=[O:21])[CH2:22][CH2:23][C@@H:24]1[N:25]2[CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1>CO.B.[Na+]>[O:1]=[S:2](=[O:3])([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[C@@H:10]1[CH2:11][C@@:12]2([c:13]3[cH:14][cH:15][c:16]([F:17])[cH:18][cH:19]3)[C@H:20]([OH:21])[CH2:22][CH2:23][C@@H:24]1[N:25]2[CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1 GSVIOSNCZJIAFZ-BFLUCZKCSA-N>>UCXBBRDEIYGCDL-BKKFENPESA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2](-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5])-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>[#7:1]-[C:2](-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5])-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 3d9b6984b69828ffde132322430b2b3774f2548944739272db9d88c751b27114 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[C@@H:8]1[CH2:9][C@@:10]2([c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[C:17](=[O:18])[CH2:19][CH2:20][C@@H:21]1[N:22]2[CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>CO.B.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[C@@H:8]1[CH2:9][C@@:10]2([c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[C@H:17]([OH:18])[CH2:19][CH2:20][C@@H:21]1[N:22]2[CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1 FVOPSRDDKMWTIE-TYBLODHISA-N>>XIITVYMVQCCBTH-WTEVXDJOSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2](-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5])-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>[#7:1]-[C:2](-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5])-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 3d9b6984b69828ffde132322430b2b3774f2548944739272db9d88c751b27114 [N:1]#[C:2][C@@H:3]1[CH2:4][C@@:5]2([c:6]3[cH:7][cH:8][cH:9][cH:10][cH:11]3)[C:12](=[O:13])[CH2:14][CH2:15][C@@H:16]1[N:17]2[CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1>C1CCOC1.CO.B.[Na+]>[N:1]#[C:2][C@@H:3]1[CH2:4][C@@:5]2([c:6]3[cH:7][cH:8][cH:9][cH:10][cH:11]3)[C@H:12]([OH:13])[CH2:14][CH2:15][C@@H:16]1[N:17]2[CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1 MNUGGHPNXJTPGO-HFSMHLIXSA-N>>URQVYMYGIKQIHB-MJUUVYJYSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2](-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5])-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>[#7:1]-[C:2](-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5])-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 3d9b6984b69828ffde132322430b2b3774f2548944739272db9d88c751b27114 [N:1]#[C:2][C@H:3]1[CH2:4][C@@:5]2([c:6]3[cH:7][cH:8][cH:9][cH:10][cH:11]3)[C:12](=[O:13])[CH2:14][CH2:15][C@@H:16]1[N:17]2[CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1>CO.B.[Na+]>[N:1]#[C:2][C@H:3]1[CH2:4][C@@:5]2([c:6]3[cH:7][cH:8][cH:9][cH:10][cH:11]3)[C@H:12]([OH:13])[CH2:14][CH2:15][C@@H:16]1[N:17]2[CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1 MNUGGHPNXJTPGO-SLYNCCJLSA-N>>URQVYMYGIKQIHB-GFOJFJKKSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2](-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5])-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>[#7:1]-[C:2](-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5])-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 3d9b6984b69828ffde132322430b2b3774f2548944739272db9d88c751b27114 CO[C@@H:28]1[C@:2]([CH3:1])([OH:3])[C@H:4]([O:5][CH2:6][c:7]2[c:8]([Cl:9])[cH:10][c:11]([Cl:12])[cH:13][cH:14]2)[C@@H:15]([CH2:16][O:17][CH2:18][c:19]2[c:20]([Cl:21])[cH:22][c:23]([Cl:24])[cH:25][cH:26]2)[O:27]1.[n:29]1[cH:30][cH:31][c:32]2[c:37]([Cl:38])[n:36][cH:35][nH:34][c:33]1-2>Br.CC#N.ClCCl.[Na]>[CH3:1][C@@:2]1([OH:3])[C@H:4]([O:5][CH2:6][c:7]2[c:8]([Cl:9])[cH:10][c:11]([Cl:12])[cH:13][cH:14]2)[C@@H:15]([CH2:16][O:17][CH2:18][c:19]2[c:20]([Cl:21])[cH:22][c:23]([Cl:24])[cH:25][cH:26]2)[O:27][C@H:28]1[n:29]1[cH:30][cH:31][c:32]2[c:33]1[n:34][cH:35][n:36][c:37]2[Cl:38] BPTCCCTWWAUJRK-UHFFFAOYSA-N.WYPCSQZGBZNWBF-MXEMCNAFSA-N>>DCXHACRQHZYBJB-SAZLYLDSSA-N 0.0 Unrecognized False stereospecific False [C:6]-[#8:5]-[C:4]-[C:3]1-[#8:2]-[C@@H;D3;+0:1](-[n;H0;D3;+0:15]2:[c:16]:[c:17]:[c;H0;D3;+0:18]3:[c:19]:[#7;a:11]:[c:12]:[n;H0;D2;+0:13]:[c;H0;D3;+0:14]:3:2)-[C:10]-[C:7]-1-[#8:8]-[C:9]>>C-O-[C@H;D3;+0:1]1-[#8:2]-[C:3](-[C:4]-[#8:5]-[C:6])-[C:7](-[#8:8]-[C:9])-[C:10]-1.[#7;a:11]1:[c:12]:[nH;D2;+0:13]:[c;H0;D3;+0:14]2:[n;H0;D2;+0:15]:[c:16]:[c:17]:[c;H0;D3;+0:18]-2:[c:19]:1 27c1484afa6547f183d48fc3993008049a2984df61f29f12fb34ec58f5213b7d CO[C@@H:29]1[C@:3]([CH2:2][CH3:1])([OH:4])[C@H:5]([O:6][CH2:7][c:8]2[c:9]([Cl:10])[cH:11][c:12]([Cl:13])[cH:14][cH:15]2)[C@@H:16]([CH2:17][O:18][CH2:19][c:20]2[c:21]([Cl:22])[cH:23][c:24]([Cl:25])[cH:26][cH:27]2)[O:28]1.[n:30]1[cH:31][cH:32][c:33]2[c:38]([Cl:39])[n:37][cH:36][nH:35][c:34]1-2>Br.CC#N.CCOC(C)=O.COCCOCCN(CCOCCOC)CCOCCOC.ClCCl.Cl.[K+].N.O>[CH3:1][CH2:2][C@@:3]1([OH:4])[C@H:5]([O:6][CH2:7][c:8]2[c:9]([Cl:10])[cH:11][c:12]([Cl:13])[cH:14][cH:15]2)[C@@H:16]([CH2:17][O:18][CH2:19][c:20]2[c:21]([Cl:22])[cH:23][c:24]([Cl:25])[cH:26][cH:27]2)[O:28][C@H:29]1[n:30]1[cH:31][cH:32][c:33]2[c:34]1[n:35][cH:36][n:37][c:38]2[Cl:39] BPTCCCTWWAUJRK-UHFFFAOYSA-N.OEDQWWPYAKHSCC-YUMYIRISSA-N>>STQFXDLOZVZMNY-FKDDUOCFSA-N 0.0 Unrecognized False stereospecific False [C:6]-[#8:5]-[C:4]-[C:3]1-[#8:2]-[C@@H;D3;+0:1](-[n;H0;D3;+0:15]2:[c:16]:[c:17]:[c;H0;D3;+0:18]3:[c:19]:[#7;a:11]:[c:12]:[n;H0;D2;+0:13]:[c;H0;D3;+0:14]:3:2)-[C:10]-[C:7]-1-[#8:8]-[C:9]>>C-O-[C@H;D3;+0:1]1-[#8:2]-[C:3](-[C:4]-[#8:5]-[C:6])-[C:7](-[#8:8]-[C:9])-[C:10]-1.[#7;a:11]1:[c:12]:[nH;D2;+0:13]:[c;H0;D3;+0:14]2:[n;H0;D2;+0:15]:[c:16]:[c:17]:[c;H0;D3;+0:18]-2:[c:19]:1 27c1484afa6547f183d48fc3993008049a2984df61f29f12fb34ec58f5213b7d CO[C@H:5]1[O:6][C@H:7]([CH2:8][O:9][CH2:10][c:11]2[c:12]([Cl:13])[cH:14][c:15]([Cl:16])[cH:17][cH:18]2)[C@@H:19]([O:20][CH2:21][c:22]2[c:23]([Cl:24])[cH:25][c:26]([Cl:27])[cH:28][cH:29]2)[C@@:30]1([CH3:31])[OH:32].[CH3:1][c:2]1[cH:3][n:4][c:33]2[nH:40][c:38]([NH2:39])[n:37][c:35]([Cl:36])[c:34]1-2>Br.CC#N.ClCCl.[Na]>[CH3:1][c:2]1[cH:3][n:4]([C@@H:5]2[O:6][C@H:7]([CH2:8][O:9][CH2:10][c:11]3[c:12]([Cl:13])[cH:14][c:15]([Cl:16])[cH:17][cH:18]3)[C@@H:19]([O:20][CH2:21][c:22]3[c:23]([Cl:24])[cH:25][c:26]([Cl:27])[cH:28][cH:29]3)[C@@:30]2([CH3:31])[OH:32])[c:33]2[c:34]1[c:35]([Cl:36])[n:37][c:38]([NH2:39])[n:40]2 WYPCSQZGBZNWBF-MXEMCNAFSA-N.XSTHCQQIOBGYKL-UHFFFAOYSA-N>>XMRPHVITZKWBKF-OURHYQSXSA-N 0.0 Unrecognized False stereospecific False [C:6]-[#8:5]-[C:4]-[C:3]1-[#8:2]-[C@@H;D3;+0:1](-[n;H0;D3;+0:16]2:[c:15]:[c:14]:[c;H0;D3;+0:13]3:[c:12]:[#7;a:11]:[c:19]:[n;H0;D2;+0:18]:[c;H0;D3;+0:17]:3:2)-[C:10]-[C:7]-1-[#8:8]-[C:9]>>C-O-[C@H;D3;+0:1]1-[#8:2]-[C:3](-[C:4]-[#8:5]-[C:6])-[C:7](-[#8:8]-[C:9])-[C:10]-1.[#7;a:11]1:[c:12]:[c;H0;D3;+0:13]2:[c:14]:[c:15]:[n;H0;D2;+0:16]:[c;H0;D3;+0:17]-2:[nH;D2;+0:18]:[c:19]:1 27c1484afa6547f183d48fc3993008049a2984df61f29f12fb34ec58f5213b7d CO[C@H:5]1[O:6][C@H:7]([CH2:8][O:9][CH2:10][c:11]2[c:12]([Cl:13])[cH:14][c:15]([Cl:16])[cH:17][cH:18]2)[C@@H:19]([O:20][CH2:21][c:22]2[c:23]([Cl:24])[cH:25][c:26]([Cl:27])[cH:28][cH:29]2)[C@@:30]1([CH3:31])[OH:32].[CH3:1][c:2]1[cH:3][n:4][c:33]2[nH:39][cH:38][n:37][c:35]([Cl:36])[c:34]1-2>Br.CC#N.ClCCl.[Na]>[CH3:1][c:2]1[cH:3][n:4]([C@@H:5]2[O:6][C@H:7]([CH2:8][O:9][CH2:10][c:11]3[c:12]([Cl:13])[cH:14][c:15]([Cl:16])[cH:17][cH:18]3)[C@@H:19]([O:20][CH2:21][c:22]3[c:23]([Cl:24])[cH:25][c:26]([Cl:27])[cH:28][cH:29]3)[C@@:30]2([CH3:31])[OH:32])[c:33]2[c:34]1[c:35]([Cl:36])[n:37][cH:38][n:39]2 NISJMYPRXDUYTF-UHFFFAOYSA-N.WYPCSQZGBZNWBF-MXEMCNAFSA-N>>KRPCVPHZLSIKTI-LFKDDQTCSA-N 0.0 Unrecognized False stereospecific False [C:6]-[#8:5]-[C:4]-[C:3]1-[#8:2]-[C@@H;D3;+0:1](-[n;H0;D3;+0:16]2:[c:15]:[c:14]:[c;H0;D3;+0:13]3:[c:12]:[#7;a:11]:[c:19]:[n;H0;D2;+0:18]:[c;H0;D3;+0:17]:3:2)-[C:10]-[C:7]-1-[#8:8]-[C:9]>>C-O-[C@H;D3;+0:1]1-[#8:2]-[C:3](-[C:4]-[#8:5]-[C:6])-[C:7](-[#8:8]-[C:9])-[C:10]-1.[#7;a:11]1:[c:12]:[c;H0;D3;+0:13]2:[c:14]:[c:15]:[n;H0;D2;+0:16]:[c;H0;D3;+0:17]-2:[nH;D2;+0:18]:[c:19]:1 27c1484afa6547f183d48fc3993008049a2984df61f29f12fb34ec58f5213b7d [CH3:1][N:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][C:11]([F:12])([F:13])[C:14]([F:15])([F:16])[F:17])[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][C@@H:23]1[CH2:24][c:25]2[c:26]([cH:27][cH:28][c:29]([OH:30])[cH:31]2)[C@H:32]2[C@@H:33]([F:34])[CH2:35][C@:36]3([CH3:37])[C:38](=[O:39])[CH2:40][CH2:41][C@H:42]3[C@H:43]12>CO.B.[Na+]>[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][C:11]([F:12])([F:13])[C:14]([F:15])([F:16])[F:17])[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][C@@H:23]1[CH2:24][c:25]2[c:26]([cH:27][cH:28][c:29]([OH:30])[cH:31]2)[C@H:32]2[C@@H:33]([F:34])[CH2:35][C@:36]3([CH3:37])[C@@H:38]([OH:39])[CH2:40][CH2:41][C@H:42]3[C@H:43]12 KEHRYDWENVHMFH-CALJZLOZSA-N>>NBNKZHCQZFKXJV-CUICDERCSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][NH:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C@@H:8]1[CH2:9][c:10]2[c:11]([cH:12][cH:13][c:14]([OH:15])[cH:16]2)[C@H:17]2[C@@H:18]([F:19])[CH2:20][C@:21]3([CH3:22])[C:23](=[O:24])[CH2:25][CH2:26][C@H:27]3[C@H:28]12>CO.B.[Na+]>[CH3:1][NH:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C@@H:8]1[CH2:9][c:10]2[c:11]([cH:12][cH:13][c:14]([OH:15])[cH:16]2)[C@H:17]2[C@@H:18]([F:19])[CH2:20][C@:21]3([CH3:22])[C@@H:23]([OH:24])[CH2:25][CH2:26][C@H:27]3[C@H:28]12 UIMFFIUABUAHQH-FRHWVWFUSA-N>>VNBVZZHLXVPJNM-RNKIWZOLSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C@:2]12[CH2:3][C@H:4]([F:5])[C@@H:6]3[c:7]4[c:8]([cH:9][c:10]([OH:11])[cH:12][cH:13]4)[CH2:14][C@@H:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][N:21]4[CH2:22][CH2:23][CH2:24][CH2:25]4)[C@H:26]3[C@@H:27]1[CH2:28][CH2:29][C:30]2=[O:31]>CO.B.[Na+]>[CH3:1][C@:2]12[CH2:3][C@H:4]([F:5])[C@@H:6]3[c:7]4[c:8]([cH:9][c:10]([OH:11])[cH:12][cH:13]4)[CH2:14][C@@H:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][N:21]4[CH2:22][CH2:23][CH2:24][CH2:25]4)[C@H:26]3[C@@H:27]1[CH2:28][CH2:29][C@@H:30]2[OH:31] ORJXJAQLGBFFIK-YWRXSOOUSA-N>>YJLGNOXQAHVBMT-OTHJXEENSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][N:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C@@H:8]1[CH2:9][c:10]2[c:11]([cH:12][cH:13][c:14]([OH:15])[cH:16]2)[C@H:17]2[C@@H:18]([F:19])[CH2:20][C@:21]3([CH3:22])[C:23](=[O:24])[CH2:25][CH2:26][C@H:27]3[C@H:28]12)[CH2:29][CH2:30][CH2:31][C:32]([F:33])([F:34])[C:35]([F:36])([F:37])[F:38]>CO.B.[Na+]>[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C@@H:8]1[CH2:9][c:10]2[c:11]([cH:12][cH:13][c:14]([OH:15])[cH:16]2)[C@H:17]2[C@@H:18]([F:19])[CH2:20][C@:21]3([CH3:22])[C@@H:23]([OH:24])[CH2:25][CH2:26][C@H:27]3[C@H:28]12)[CH2:29][CH2:30][CH2:31][C:32]([F:33])([F:34])[C:35]([F:36])([F:37])[F:38] VNSMSRLSBOXKHJ-YWRXSOOUSA-N>>OPCNAKRQIRALOZ-OTHJXEENSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][N:2]([CH2:3][CH:4]=[C:5]([F:6])[C:7]([F:8])([F:9])[C:10]([F:11])([F:12])[C:13]([F:14])([F:15])[F:16])[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][C@@H:22]1[CH2:23][c:24]2[c:25]([cH:26][cH:27][c:28]([OH:29])[cH:30]2)[C@H:31]2[C@@H:32]([F:33])[CH2:34][C@:35]3([CH3:36])[C:37](=[O:38])[CH2:39][CH2:40][C@H:41]3[C@H:42]12>CO.B.[Na+]>[CH3:1][N:2]([CH2:3][CH:4]=[C:5]([F:6])[C:7]([F:8])([F:9])[C:10]([F:11])([F:12])[C:13]([F:14])([F:15])[F:16])[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][C@@H:22]1[CH2:23][c:24]2[c:25]([cH:26][cH:27][c:28]([OH:29])[cH:30]2)[C@H:31]2[C@@H:32]([F:33])[CH2:34][C@:35]3([CH3:36])[C@@H:37]([OH:38])[CH2:39][CH2:40][C@H:41]3[C@H:42]12 ZYSCLVVONJOLBO-IMHVCFKESA-N>>DBWAJXMJSCKBAS-SZBNADCNSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C@:2]12[CH2:3][C@H:4]([F:5])[C@@H:6]3[c:7]4[c:8]([cH:9][c:10]([OH:11])[cH:12][cH:13]4)[CH2:14][C@@H:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][Cl:21])[C@H:22]3[C@@H:23]1[CH2:24][CH2:25][C:26]2=[O:27]>CO.B.Cl.[Na+].[Na+]>[CH3:1][C@:2]12[CH2:3][C@H:4]([F:5])[C@@H:6]3[c:7]4[c:8]([cH:9][c:10]([OH:11])[cH:12][cH:13]4)[CH2:14][C@@H:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][Cl:21])[C@H:22]3[C@@H:23]1[CH2:24][CH2:25][C@@H:26]2[OH:27] ZSEQECHHSCTHQA-BLCKHJEYSA-N>>XERAPWCTCOGBJY-VKWISGEFSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 O=[CH:14][C:15]([CH3:16])([CH3:17])[CH3:18].[CH3:1][NH:2][C:3](=[O:4])[C@H:5]([CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[NH2:13]>C1CCOC1>[CH3:1][N:2]1[C:3](=[O:4])[C@H:5]([CH2:6][c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[NH:13][C@@H:14]1[C:15]([CH3:16])([CH3:17])[CH3:18] BVRKOQJETMBIDK-VIFPVBQESA-N.FJJYHTVHBVXEEQ-UHFFFAOYSA-N>>SKHPYKHVYFTIOI-JSGCOSHPSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D3;+0:4]1-[C@H;D3;+0:3]-[NH;D2;+0:2]-[C@H;D3;+0:1]-[N;H0;D3;+0:5]-1>>O=[CH;D2;+0:1].[NH2;D1;+0:2]-[C@H;D3;+0:3]-[C;H0;D3;+0:4]-[NH;D2;+0:5] 4affabb300405c86b5efe7b32bc1c130b68df513bce638e8b5eb2a999e2e6714 [CH3:1]/[CH:2]=[CH:3]/[CH:4]=[O:5].[cH:6]1[cH:7][n:8]([CH3:9])[c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]12>CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C(C)(C)C.O=C(O)C(F)(F)F>[CH3:1][C@H:2]([CH2:3][CH:4]=[O:5])[c:6]1[cH:7][n:8]([CH3:9])[c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]12 BLRHMMGNCXNXJL-UHFFFAOYSA-N.MLUCVPSAIODCQM-NSCUHMNNSA-N>>OQWWHYBHQFZHLP-SNVBAGLBSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:6]-[C@H;D3;+0:7](-[CH2;D2;+0:8]-[C:9]=[O;D1;H0:10])-[c;H0;D3;+0:4]1:[c:3]:[c:2]:[#7;a:1]:[c:5]:1>>[#7;a:1]1:[c:2]:[c:3]:[cH;D2;+0:4]:[c:5]:1.[C;D1;H3:6]/[CH;D2;+0:7]=[CH;D2;+0:8]/[C:9]=[O;D1;H0:10] a7dc31b677ee6e33810b8a760eafb90be00b7c9cb65a5245af269a3670a1e003 [CH3:1][n:2]1[cH:3][cH:4][c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]12.[CH:5](=[CH:6][CH:7]=[O:8])[CH2:9][O:10][CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1>CC(C)O.CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C(C)(C)C.ClCCl.O=C(O)C(F)(F)F>[CH3:1][n:2]1[cH:3][c:4]([C@@H:5]([CH2:6][CH:7]=[O:8])[CH2:9][O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]12 BLRHMMGNCXNXJL-UHFFFAOYSA-N.NBGHOPTZIQWHKY-UHFFFAOYSA-N>>BURBNXUBXOTURN-KRWDZBQOSA-N 0.0 Unrecognized False reagent controlled False [O;D1;H0:6]=[C:7]-[CH2;D2;+0:8]-[C@@H;D3;+0:9](-[C:10]-[#8:11]-[C:12]-[c:13]1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)-[c;H0;D3;+0:4]1:[c:3]:[c:2]:[#7;a:1]:[c:5]:1>>[#7;a:1]1:[c:2]:[c:3]:[cH;D2;+0:4]:[c:5]:1.[O;D1;H0:6]=[C:7]-[CH;D2;+0:8]=[CH;D2;+0:9]-[C:10]-[#8:11]-[C:12]-[c:13]1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1 37b5dc158d729ea64d84b58c53207effb4828b944240a3bb6e81c9d85053c757 [CH3:1]/[CH:2]=[CH:3]/[CH:4]=[O:5].[cH:6]1[cH:7][nH:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]12>CC(C)O.CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C(C)(C)C.ClCCl.O=C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>[CH3:1][C@H:2]([CH2:3][CH:4]=[O:5])[c:6]1[cH:7][nH:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]12 MLUCVPSAIODCQM-NSCUHMNNSA-N.SIKJAQJRHWYJAI-UHFFFAOYSA-N>>MLGJCWGLXXAKQX-SECBINFHSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:6]-[C@H;D3;+0:7](-[CH2;D2;+0:8]-[C:9]=[O;D1;H0:10])-[c;H0;D3;+0:3]1:[c:4]:[c:5]:[#7;a:1]:[c:2]:1>>[#7;a:1]1:[c:2]:[cH;D2;+0:3]:[c:4]:[c:5]:1.[C;D1;H3:6]/[CH;D2;+0:7]=[CH;D2;+0:8]/[C:9]=[O;D1;H0:10] a7dc31b677ee6e33810b8a760eafb90be00b7c9cb65a5245af269a3670a1e003 [CH2:1]=[CH:2][CH2:3][n:4]1[cH:5][cH:6][c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12.[CH:7](\[CH3:8])=[CH:9]/[CH:10]=[O:11]>CC(C)O.CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C(C)(C)C.ClCCl.O=C(O)C(F)(F)F>[CH2:1]=[CH:2][CH2:3][n:4]1[cH:5][c:6]([C@H:7]([CH3:8])[CH2:9][CH:10]=[O:11])[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12 HVTZRDOAWZPREA-UHFFFAOYSA-N.MLUCVPSAIODCQM-NSCUHMNNSA-N>>KRTCIOYEGMWMMS-GFCCVEGCSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:6]-[C@H;D3;+0:7](-[CH2;D2;+0:8]-[C:9]=[O;D1;H0:10])-[c;H0;D3;+0:4]1:[c:3]:[c:2]:[#7;a:1]:[c:5]:1>>[#7;a:1]1:[c:2]:[c:3]:[cH;D2;+0:4]:[c:5]:1.[C;D1;H3:6]/[CH;D2;+0:7]=[CH;D2;+0:8]/[C:9]=[O;D1;H0:10] a7dc31b677ee6e33810b8a760eafb90be00b7c9cb65a5245af269a3670a1e003 [CH3:1]/[CH:2]=[CH:3]/[CH:4]=[O:5].[cH:6]1[cH:7][n:8]([CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]12>CC(C)O.CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C(C)(C)C.ClCCl.O=C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>[CH3:1][C@H:2]([CH2:3][CH:4]=[O:5])[c:6]1[cH:7][n:8]([CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]12 MLUCVPSAIODCQM-NSCUHMNNSA-N.NJZQOCCEDXRQJM-UHFFFAOYSA-N>>VQYWSGIRXNDMFI-OAHLLOKOSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:6]-[C@H;D3;+0:7](-[CH2;D2;+0:8]-[C:9]=[O;D1;H0:10])-[c;H0;D3;+0:4]1:[c:3]:[c:2]:[#7;a:1]:[c:5]:1>>[#7;a:1]1:[c:2]:[c:3]:[cH;D2;+0:4]:[c:5]:1.[C;D1;H3:6]/[CH;D2;+0:7]=[CH;D2;+0:8]/[C:9]=[O;D1;H0:10] a7dc31b677ee6e33810b8a760eafb90be00b7c9cb65a5245af269a3670a1e003 [CH3:1][O:2][c:3]1[c:4]2[cH:5][cH:19][n:20]([CH3:21])[c:22]2[cH:23][cH:24][cH:25]1.[CH:6](=[CH:7][CH:8]=[O:9])[CH2:10][O:11][CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1>CC(C)O.CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C(C)(C)C.ClCCl.O=C(O)C(F)(F)F>[CH3:1][O:2][c:3]1[c:4]2[c:5]([C@@H:6]([CH2:7][CH:8]=[O:9])[CH2:10][O:11][CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[cH:19][n:20]([CH3:21])[c:22]2[cH:23][cH:24][cH:25]1 ATEWBFOJLQMYEA-UHFFFAOYSA-N.NBGHOPTZIQWHKY-UHFFFAOYSA-N>>FASMDACCIXDTCW-KRWDZBQOSA-N 0.0 Unrecognized False reagent controlled False [O;D1;H0:6]=[C:7]-[CH2;D2;+0:8]-[C@@H;D3;+0:9](-[C:10]-[#8:11]-[C:12]-[c:13]1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)-[c;H0;D3;+0:3]1:[c:2]:[#7;a:1]:[c:5]:[c:4]:1>>[#7;a:1]1:[c:2]:[cH;D2;+0:3]:[c:4]:[c:5]:1.[O;D1;H0:6]=[C:7]-[CH;D2;+0:8]=[CH;D2;+0:9]-[C:10]-[#8:11]-[C:12]-[c:13]1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1 37b5dc158d729ea64d84b58c53207effb4828b944240a3bb6e81c9d85053c757 [CH3:1][c:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7]1)[nH:8][cH:9][cH:10]2.[CH:11](=[CH:12][CH:13]=[O:14])[CH2:15][O:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1>CC(C)O.CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C(C)(C)C.ClCCl.O=C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O=C(O)c1ccccc1>[CH3:1][c:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7]1)[nH:8][cH:9][c:10]2[C@@H:11]([CH2:12][CH:13]=[O:14])[CH2:15][O:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1 NBGHOPTZIQWHKY-UHFFFAOYSA-N.PZOUSPYUWWUPPK-UHFFFAOYSA-N>>DEHWSBJLQCIVNB-KRWDZBQOSA-N 0.0 Unrecognized False reagent controlled False [O;D1;H0:6]=[C:7]-[CH2;D2;+0:8]-[C@@H;D3;+0:9](-[C:10]-[#8:11]-[C:12]-[c:13]1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)-[c;H0;D3;+0:4]1:[c:3]:[c:2]:[#7;a:1]:[c:5]:1>>[#7;a:1]1:[c:2]:[c:3]:[cH;D2;+0:4]:[c:5]:1.[O;D1;H0:6]=[C:7]-[CH;D2;+0:8]=[CH;D2;+0:9]-[C:10]-[#8:11]-[C:12]-[c:13]1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1 37b5dc158d729ea64d84b58c53207effb4828b944240a3bb6e81c9d85053c757 [O:1]=[CH:2][CH:3]=[CH:4][CH2:5][O:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1.[cH:14]1[cH:15][nH:16][c:17]2[cH:18][c:19]([Cl:20])[cH:21][cH:22][c:23]12>CC(C)O.CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C(C)(C)C.ClCCl.O=C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>[O:1]=[CH:2][CH2:3][C@@H:4]([CH2:5][O:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[c:14]1[cH:15][nH:16][c:17]2[cH:18][c:19]([Cl:20])[cH:21][cH:22][c:23]12 NBGHOPTZIQWHKY-UHFFFAOYSA-N.YTYIMDRWPTUAHP-UHFFFAOYSA-N>>QPKRHJAAPIRVBI-HNNXBMFYSA-N 0.0 Unrecognized False reagent controlled False [O;D1;H0:6]=[C:7]-[CH2;D2;+0:8]-[C@@H;D3;+0:9](-[C:10]-[#8:11]-[C:12]-[c:13]1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)-[c;H0;D3;+0:3]1:[c:2]:[#7;a:1]:[c:5]:[c:4]:1>>[#7;a:1]1:[c:2]:[cH;D2;+0:3]:[c:4]:[c:5]:1.[O;D1;H0:6]=[C:7]-[CH;D2;+0:8]=[CH;D2;+0:9]-[C:10]-[#8:11]-[C:12]-[c:13]1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1 37b5dc158d729ea64d84b58c53207effb4828b944240a3bb6e81c9d85053c757 [CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:8]1)[cH:9][c:15]([CH3:16])[n:17]2[CH2:18][c:19]1[cH:20][cH:21][c:22]([Br:23])[cH:24][cH:25]1.[CH:10](\[CH3:11])=[CH:12]/[CH:13]=[O:14]>CC(C)O.CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C(C)(C)C.ClCCl.O=C(O)C(Cl)Cl>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:8]1)[c:9]([C@H:10]([CH3:11])[CH2:12][CH:13]=[O:14])[c:15]([CH3:16])[n:17]2[CH2:18][c:19]1[cH:20][cH:21][c:22]([Br:23])[cH:24][cH:25]1 JUYYAKSICGDTAV-UHFFFAOYSA-N.MLUCVPSAIODCQM-NSCUHMNNSA-N>>RMBOKLTXFBYBGI-CQSZACIVSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:6]-[C@H;D3;+0:7](-[CH2;D2;+0:8]-[C:9]=[O;D1;H0:10])-[c;H0;D3;+0:3]1:[c:2]:[#7;a:1]:[c:5]:[c:4]:1>>[#7;a:1]1:[c:2]:[cH;D2;+0:3]:[c:4]:[c:5]:1.[C;D1;H3:6]/[CH;D2;+0:7]=[CH;D2;+0:8]/[C:9]=[O;D1;H0:10] a7dc31b677ee6e33810b8a760eafb90be00b7c9cb65a5245af269a3670a1e003 Br[c:16]1[cH:17][cH:18][c:19]([Br:20])[s:21]1.[CH3:1][N:2]1[C:3](=[O:4])[CH2:5][C@H:6]([c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[C@@H:13]1[CH:14]=[O:15]>C1CCOC1.Cl.[Li]CCCC.N.c1ccccc1>[CH3:1][N:2]1[C:3](=[O:4])[CH2:5][C@H:6]([c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[C@@H:13]1[C@H:14]([OH:15])[c:16]1[cH:17][cH:18][c:19]([Br:20])[s:21]1 JYJUDDQCGHNPBK-MNOVXSKESA-N.KBVDUUXRXJTAJC-UHFFFAOYSA-N>>NIMTZKSGBLZWFL-HFBAOOFYSA-N 0.0 Unrecognized False substrate controlled False [#16;a:2]:[c;H0;D3;+0:1](:[c:3])-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[C:5]-[#7:4]>>Br-[c;H0;D3;+0:1](:[#16;a:2]):[c:3].[#7:4]-[C:5]-[CH;D2;+0:6]=[O;H0;D1;+0:7] 3431ec947877b8647f8a65021377641efaf2bcd63b570466283a24156016e21a Br[c:5]1[cH:4][cH:3][c:2]([CH3:1])[s:21]1.[CH:6](=[O:7])[C@H:8]1[C@@H:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:16][C:17](=[O:18])[N:19]1[CH3:20]>C1CCOC1.Cl.[Mg].N>[CH3:1][c:2]1[cH:3][cH:4][c:5]([C@@H:6]([OH:7])[C@H:8]2[C@@H:9]([c:10]3[cH:11][cH:12][cH:13][cH:14][cH:15]3)[CH2:16][C:17](=[O:18])[N:19]2[CH3:20])[s:21]1 ACDLOOGOFKSUPO-UHFFFAOYSA-N.JYJUDDQCGHNPBK-MNOVXSKESA-N>>PGDGZIUTDHOVBL-KBRIMQKVSA-N 0.0 Unrecognized False substrate controlled False [#16;a:2]:[c;H0;D3;+0:1](:[c:3])-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[C:5]-[#7:4]>>Br-[c;H0;D3;+0:1](:[#16;a:2]):[c:3].[#7:4]-[C:5]-[CH;D2;+0:6]=[O;H0;D1;+0:7] 3431ec947877b8647f8a65021377641efaf2bcd63b570466283a24156016e21a Br[c:16]1[cH:17][cH:18][c:19](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[s:26]1.[CH3:1][N:2]1[C:3](=[O:4])[CH2:5][C@H:6]([c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[C@@H:13]1[CH:14]=[O:15]>>[CH3:1][N:2]1[C:3](=[O:4])[CH2:5][C@H:6]([c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[C@@H:13]1[C@H:14]([OH:15])[c:16]1[cH:17][cH:18][c:19](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[s:26]1 JYJUDDQCGHNPBK-MNOVXSKESA-N.RVCTZBRMQZWVDA-UHFFFAOYSA-N>>OYFCHBMDEACELF-ZPMCFJSWSA-N 0.0 Unrecognized False substrate controlled False [#16;a:2]:[c;H0;D3;+0:1](:[c:3])-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[C:5]-[#7:4]>>Br-[c;H0;D3;+0:1](:[#16;a:2]):[c:3].[#7:4]-[C:5]-[CH;D2;+0:6]=[O;H0;D1;+0:7] 3431ec947877b8647f8a65021377641efaf2bcd63b570466283a24156016e21a O[C@@H:5]1[CH2:6][C@@H:7]([CH2:8][O:9][CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[N:17]([S:18](=[O:19])(=[O:20])[c:21]2[cH:22][c:23]3[cH:24][cH:25][cH:26][cH:27][c:28]3[cH:29][cH:30]2)[CH2:31]1.[CH3:1][C:2]([OH:3])=[S:4]>C1CCOC1.CC(C)OC(=O)/N=N/C(=O)OC(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][C:2](=[O:3])[S:4][C@H:5]1[CH2:6][C@@H:7]([CH2:8][O:9][CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[N:17]([S:18](=[O:19])(=[O:20])[c:21]2[cH:22][c:23]3[cH:24][cH:25][cH:26][cH:27][c:28]3[cH:29][cH:30]2)[CH2:31]1 DUYAAUVXQSMXQP-UHFFFAOYSA-N.QUNUNAWBOZGTDZ-LEWJYISDSA-N>>QZTDUWJHXLAJLF-GOTSBHOMSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:8]-[C;H0;D3;+0:6](-[C;D1;H3:5])=[O;H0;D1;+0:7]>>O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C;D1;H3:5]-[C;H0;D3;+0:6](-[OH;D1;+0:7])=[S;H0;D1;+0:8] 258aaca3de4bb9ebe7a1dc7729deb36fbb5b5c20cc04887912a0f6986471e8b2 C[S+](C)(=O)[CH3:13].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][C@@H:9]2[CH2:10][CH2:11][C:12](=[O:14])[C@@H:15]([C:16]3=[CH:17][CH2:18][CH2:19][CH2:20][CH2:21]3)[C@@H:22]2[O:23][CH3:24])[cH:25][cH:26]1>C1CCOC1.CS(C)=O.[HH].I.I.[Li+].[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][C@@H:9]2[CH2:10][CH2:11][C@:12]3([CH2:13][O:14]3)[C@@H:15]([C:16]3=[CH:17][CH2:18][CH2:19][CH2:20][CH2:21]3)[C@@H:22]2[O:23][CH3:24])[cH:25][cH:26]1 MXMPLKVWMYXOGV-NJDAHSKKSA-N.YRYSAWZMIRQUBO-UHFFFAOYSA-N>>AFWDUNFURYWTFI-MBDNFAEBSA-N 0.0 Unrecognized True substrate controlled False [C@;H0;D4;+0:2]1-[CH2;D2;+0:1]-[O;H0;D2;+0:3]-1>>C-[S+](-C)(=O)-[CH3;D1;+0:1].[C;H0;D3;+0:2]=[O;H0;D1;+0:3] 51db9ad6707da4b8978e9261b081e37659c621a6e1b173ca5e687d3eb4e41f2c [CH3:1]/[CH:2]=[CH:3]/[CH:4]=[O:5].[cH:6]1[cH:7][n:8]([CH3:9])[c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]12>CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C(C)(C)C.O=C(O)C(F)(F)F>[CH3:1][C@H:2]([CH2:3][CH:4]=[O:5])[c:6]1[cH:7][n:8]([CH3:9])[c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]12 BLRHMMGNCXNXJL-UHFFFAOYSA-N.MLUCVPSAIODCQM-NSCUHMNNSA-N>>OQWWHYBHQFZHLP-SNVBAGLBSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:6]-[C@@H;D3;+0:7](-[CH2;D2;+0:8]-[C:9]=[O;D1;H0:10])-[c;H0;D3;+0:4]1:[c:3]:[c:2]:[#7;a:1]:[c:5]:1>>[#7;a:1]1:[c:2]:[c:3]:[cH;D2;+0:4]:[c:5]:1.[C;D1;H3:6]/[CH;D2;+0:7]=[CH;D2;+0:8]/[C:9]=[O;D1;H0:10] 991d14d9a5eff515d25a7f1555dc64c25b3c56a7d289a007e6fcc662fe3b6bd2 [CH3:1][n:2]1[cH:3][cH:4][c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]12.[CH:5](=[CH:6][CH:7]=[O:8])[CH2:9][O:10][CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1>CC(C)O.CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C(C)(C)C.ClCCl.O=C(O)C(F)(F)F>[CH3:1][n:2]1[cH:3][c:4]([C@@H:5]([CH2:6][CH:7]=[O:8])[CH2:9][O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]12 BLRHMMGNCXNXJL-UHFFFAOYSA-N.NBGHOPTZIQWHKY-UHFFFAOYSA-N>>BURBNXUBXOTURN-KRWDZBQOSA-N 0.0 Unrecognized False reagent controlled True [O;D1;H0:6]=[C:7]-[CH2;D2;+0:8]-[C@H;D3;+0:9](-[C:10]-[#8:11]-[C:12]-[c:13]1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)-[c;H0;D3;+0:4]1:[c:3]:[c:2]:[#7;a:1]:[c:5]:1>>[#7;a:1]1:[c:2]:[c:3]:[cH;D2;+0:4]:[c:5]:1.[O;D1;H0:6]=[C:7]-[CH;D2;+0:8]=[CH;D2;+0:9]-[C:10]-[#8:11]-[C:12]-[c:13]1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1 2b6f70dae9fda6ed253caa060ae1b0850f02f059c2207ea0a3e7eed0fc7fcf0c [CH3:1]/[CH:2]=[CH:3]/[CH:4]=[O:5].[cH:6]1[cH:7][nH:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]12>CC(C)O.CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C(C)(C)C.ClCCl.O=C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>[CH3:1][C@H:2]([CH2:3][CH:4]=[O:5])[c:6]1[cH:7][nH:8][c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]12 MLUCVPSAIODCQM-NSCUHMNNSA-N.SIKJAQJRHWYJAI-UHFFFAOYSA-N>>MLGJCWGLXXAKQX-SECBINFHSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:6]-[C@@H;D3;+0:7](-[CH2;D2;+0:8]-[C:9]=[O;D1;H0:10])-[c;H0;D3;+0:3]1:[c:4]:[c:5]:[#7;a:1]:[c:2]:1>>[#7;a:1]1:[c:2]:[cH;D2;+0:3]:[c:4]:[c:5]:1.[C;D1;H3:6]/[CH;D2;+0:7]=[CH;D2;+0:8]/[C:9]=[O;D1;H0:10] 991d14d9a5eff515d25a7f1555dc64c25b3c56a7d289a007e6fcc662fe3b6bd2 [CH2:1]=[CH:2][CH2:3][n:4]1[cH:5][cH:6][c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12.[CH:7](\[CH3:8])=[CH:9]/[CH:10]=[O:11]>CC(C)O.CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C(C)(C)C.ClCCl.O=C(O)C(F)(F)F>[CH2:1]=[CH:2][CH2:3][n:4]1[cH:5][c:6]([C@H:7]([CH3:8])[CH2:9][CH:10]=[O:11])[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12 HVTZRDOAWZPREA-UHFFFAOYSA-N.MLUCVPSAIODCQM-NSCUHMNNSA-N>>KRTCIOYEGMWMMS-GFCCVEGCSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:6]-[C@@H;D3;+0:7](-[CH2;D2;+0:8]-[C:9]=[O;D1;H0:10])-[c;H0;D3;+0:4]1:[c:3]:[c:2]:[#7;a:1]:[c:5]:1>>[#7;a:1]1:[c:2]:[c:3]:[cH;D2;+0:4]:[c:5]:1.[C;D1;H3:6]/[CH;D2;+0:7]=[CH;D2;+0:8]/[C:9]=[O;D1;H0:10] 991d14d9a5eff515d25a7f1555dc64c25b3c56a7d289a007e6fcc662fe3b6bd2 [CH3:1]/[CH:2]=[CH:3]/[CH:4]=[O:5].[cH:6]1[cH:7][n:8]([CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]12>CC(C)O.CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C(C)(C)C.ClCCl.O=C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>[CH3:1][C@H:2]([CH2:3][CH:4]=[O:5])[c:6]1[cH:7][n:8]([CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]12 MLUCVPSAIODCQM-NSCUHMNNSA-N.NJZQOCCEDXRQJM-UHFFFAOYSA-N>>VQYWSGIRXNDMFI-OAHLLOKOSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:6]-[C@@H;D3;+0:7](-[CH2;D2;+0:8]-[C:9]=[O;D1;H0:10])-[c;H0;D3;+0:4]1:[c:3]:[c:2]:[#7;a:1]:[c:5]:1>>[#7;a:1]1:[c:2]:[c:3]:[cH;D2;+0:4]:[c:5]:1.[C;D1;H3:6]/[CH;D2;+0:7]=[CH;D2;+0:8]/[C:9]=[O;D1;H0:10] 991d14d9a5eff515d25a7f1555dc64c25b3c56a7d289a007e6fcc662fe3b6bd2 [CH3:1][O:2][c:3]1[c:4]2[cH:5][cH:19][n:20]([CH3:21])[c:22]2[cH:23][cH:24][cH:25]1.[CH:6](=[CH:7][CH:8]=[O:9])[CH2:10][O:11][CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1>CC(C)O.CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C(C)(C)C.ClCCl.O=C(O)C(F)(F)F>[CH3:1][O:2][c:3]1[c:4]2[c:5]([C@@H:6]([CH2:7][CH:8]=[O:9])[CH2:10][O:11][CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[cH:19][n:20]([CH3:21])[c:22]2[cH:23][cH:24][cH:25]1 ATEWBFOJLQMYEA-UHFFFAOYSA-N.NBGHOPTZIQWHKY-UHFFFAOYSA-N>>FASMDACCIXDTCW-KRWDZBQOSA-N 0.0 Unrecognized False reagent controlled True [O;D1;H0:6]=[C:7]-[CH2;D2;+0:8]-[C@H;D3;+0:9](-[C:10]-[#8:11]-[C:12]-[c:13]1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)-[c;H0;D3;+0:3]1:[c:2]:[#7;a:1]:[c:5]:[c:4]:1>>[#7;a:1]1:[c:2]:[cH;D2;+0:3]:[c:4]:[c:5]:1.[O;D1;H0:6]=[C:7]-[CH;D2;+0:8]=[CH;D2;+0:9]-[C:10]-[#8:11]-[C:12]-[c:13]1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1 2b6f70dae9fda6ed253caa060ae1b0850f02f059c2207ea0a3e7eed0fc7fcf0c [CH3:1][c:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7]1)[nH:8][cH:9][cH:10]2.[CH:11](=[CH:12][CH:13]=[O:14])[CH2:15][O:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1>CC(C)O.CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C(C)(C)C.ClCCl.O=C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].O=C(O)c1ccccc1>[CH3:1][c:2]1[c:3]2[c:4]([cH:5][cH:6][cH:7]1)[nH:8][cH:9][c:10]2[C@@H:11]([CH2:12][CH:13]=[O:14])[CH2:15][O:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1 NBGHOPTZIQWHKY-UHFFFAOYSA-N.PZOUSPYUWWUPPK-UHFFFAOYSA-N>>DEHWSBJLQCIVNB-KRWDZBQOSA-N 0.0 Unrecognized False reagent controlled True [O;D1;H0:6]=[C:7]-[CH2;D2;+0:8]-[C@H;D3;+0:9](-[C:10]-[#8:11]-[C:12]-[c:13]1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)-[c;H0;D3;+0:4]1:[c:3]:[c:2]:[#7;a:1]:[c:5]:1>>[#7;a:1]1:[c:2]:[c:3]:[cH;D2;+0:4]:[c:5]:1.[O;D1;H0:6]=[C:7]-[CH;D2;+0:8]=[CH;D2;+0:9]-[C:10]-[#8:11]-[C:12]-[c:13]1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1 2b6f70dae9fda6ed253caa060ae1b0850f02f059c2207ea0a3e7eed0fc7fcf0c [O:1]=[CH:2][CH:3]=[CH:4][CH2:5][O:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1.[cH:14]1[cH:15][nH:16][c:17]2[cH:18][c:19]([Cl:20])[cH:21][cH:22][c:23]12>CC(C)O.CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C(C)(C)C.ClCCl.O=C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]>[O:1]=[CH:2][CH2:3][C@@H:4]([CH2:5][O:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[c:14]1[cH:15][nH:16][c:17]2[cH:18][c:19]([Cl:20])[cH:21][cH:22][c:23]12 NBGHOPTZIQWHKY-UHFFFAOYSA-N.YTYIMDRWPTUAHP-UHFFFAOYSA-N>>QPKRHJAAPIRVBI-HNNXBMFYSA-N 0.0 Unrecognized False reagent controlled True [O;D1;H0:6]=[C:7]-[CH2;D2;+0:8]-[C@H;D3;+0:9](-[C:10]-[#8:11]-[C:12]-[c:13]1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)-[c;H0;D3;+0:3]1:[c:2]:[#7;a:1]:[c:5]:[c:4]:1>>[#7;a:1]1:[c:2]:[cH;D2;+0:3]:[c:4]:[c:5]:1.[O;D1;H0:6]=[C:7]-[CH;D2;+0:8]=[CH;D2;+0:9]-[C:10]-[#8:11]-[C:12]-[c:13]1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1 2b6f70dae9fda6ed253caa060ae1b0850f02f059c2207ea0a3e7eed0fc7fcf0c [CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:8]1)[cH:9][c:15]([CH3:16])[n:17]2[CH2:18][c:19]1[cH:20][cH:21][c:22]([Br:23])[cH:24][cH:25]1.[CH:10](\[CH3:11])=[CH:12]/[CH:13]=[O:14]>CC(C)O.CN1C(=O)[C@H](Cc2ccccc2)N[C@@H]1C(C)(C)C.ClCCl.O=C(O)C(Cl)Cl>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:8]1)[c:9]([C@H:10]([CH3:11])[CH2:12][CH:13]=[O:14])[c:15]([CH3:16])[n:17]2[CH2:18][c:19]1[cH:20][cH:21][c:22]([Br:23])[cH:24][cH:25]1 JUYYAKSICGDTAV-UHFFFAOYSA-N.MLUCVPSAIODCQM-NSCUHMNNSA-N>>RMBOKLTXFBYBGI-CQSZACIVSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:6]-[C@@H;D3;+0:7](-[CH2;D2;+0:8]-[C:9]=[O;D1;H0:10])-[c;H0;D3;+0:3]1:[c:2]:[#7;a:1]:[c:5]:[c:4]:1>>[#7;a:1]1:[c:2]:[cH;D2;+0:3]:[c:4]:[c:5]:1.[C;D1;H3:6]/[CH;D2;+0:7]=[CH;D2;+0:8]/[C:9]=[O;D1;H0:10] 991d14d9a5eff515d25a7f1555dc64c25b3c56a7d289a007e6fcc662fe3b6bd2 [CH3:1][CH2:2][O:3][CH2:4][C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[CH:20](=[O:21])[c:22]1[c:23]([O:24][CH3:25])[cH:26][c:27]([O:28][CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:36][cH:37]1>CCCC[B+]CCCC.CCN(CC)CC.O=S(=O)(O)C(F)(F)F>[CH3:1][CH2:2][O:3][C@H:4]([C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[C@H:20]([OH:21])[c:22]1[c:23]([O:24][CH3:25])[cH:26][c:27]([O:28][CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:36][cH:37]1 HZLNIOUBXRIFML-UHFFFAOYSA-N.UZCXCVNBSPOTNE-LBPRGKRZSA-N>>BXQYRXFUJQKERF-FDJWOJMMSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2](=[O;D1;H0:3])-[C@@H;D3;+0:4](-[#8:5])-[C@H;D3;+0:7](-[OH;D1;+0:6])-[c:8]>>[#7:1]-[C:2](=[O;D1;H0:3])-[CH2;D2;+0:4]-[#8:5].[O;H0;D1;+0:6]=[CH;D2;+0:7]-[c:8] 58d4fe80ba1c7a48ee1ec1c2337629c791732ab635be2fd1317597cb9bb5c92c [CH3:1][CH2:2][O:3][CH2:4][C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[CH:20](=[O:21])[c:22]1[c:23]([CH2:24][CH3:25])[cH:26][c:27]([O:28][CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:36][cH:37]1>CCCC[B+]CCCC.CCN(CC)CC.O=S(=O)(O)C(F)(F)F>[CH3:1][CH2:2][O:3][C@H:4]([C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[C@H:20]([OH:21])[c:22]1[c:23]([CH2:24][CH3:25])[cH:26][c:27]([O:28][CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:36][cH:37]1 AQNCADQRMAVJTL-UHFFFAOYSA-N.UZCXCVNBSPOTNE-LBPRGKRZSA-N>>NTGYVXGYUPLDME-VCTRFXNDSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2](=[O;D1;H0:3])-[C@@H;D3;+0:4](-[#8:5])-[C@H;D3;+0:7](-[OH;D1;+0:6])-[c:8]>>[#7:1]-[C:2](=[O;D1;H0:3])-[CH2;D2;+0:4]-[#8:5].[O;H0;D1;+0:6]=[CH;D2;+0:7]-[c:8] 58d4fe80ba1c7a48ee1ec1c2337629c791732ab635be2fd1317597cb9bb5c92c [CH3:1][CH2:2][O:3][CH2:4][C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[CH:20](=[O:21])[c:22]1[c:23]([F:24])[cH:25][c:26]([O:27][CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:35][cH:36]1>CCCC[B+]CCCC.CCN(CC)CC.O=S(=O)(O)C(F)(F)F>[CH3:1][CH2:2][O:3][C@H:4]([C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[C@H:20]([OH:21])[c:22]1[c:23]([F:24])[cH:25][c:26]([O:27][CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:35][cH:36]1 KRCUZBWXZUPORH-UHFFFAOYSA-N.UZCXCVNBSPOTNE-LBPRGKRZSA-N>>DQFWPOJZAJXBDY-BYXVTNLJSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2](=[O;D1;H0:3])-[C@@H;D3;+0:4](-[#8:5])-[C@H;D3;+0:7](-[OH;D1;+0:6])-[c:8]>>[#7:1]-[C:2](=[O;D1;H0:3])-[CH2;D2;+0:4]-[#8:5].[O;H0;D1;+0:6]=[CH;D2;+0:7]-[c:8] 58d4fe80ba1c7a48ee1ec1c2337629c791732ab635be2fd1317597cb9bb5c92c [CH3:1][CH2:2][O:3][CH2:4][C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[CH:20](=[O:21])[c:22]1[c:23]([CH3:24])[cH:25][c:26]([O:27][CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:35][c:36]1[CH3:37]>CCCC[B+]CCCC.CCN(CC)CC.O=S(=O)(O)C(F)(F)F>[CH3:1][CH2:2][O:3][C@H:4]([C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[C@H:20]([OH:21])[c:22]1[c:23]([CH3:24])[cH:25][c:26]([O:27][CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:35][c:36]1[CH3:37] UZCXCVNBSPOTNE-LBPRGKRZSA-N.ZOSUBLBLLWVEBF-UHFFFAOYSA-N>>WKRSKBGMEBJNES-VCTRFXNDSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2](=[O;D1;H0:3])-[C@@H;D3;+0:4](-[#8:5])-[C@H;D3;+0:7](-[OH;D1;+0:6])-[c:8]>>[#7:1]-[C:2](=[O;D1;H0:3])-[CH2;D2;+0:4]-[#8:5].[O;H0;D1;+0:6]=[CH;D2;+0:7]-[c:8] 58d4fe80ba1c7a48ee1ec1c2337629c791732ab635be2fd1317597cb9bb5c92c N[C@H:8]([CH2:7][c:6]1[cH:5][cH:4][cH:3][c:2]([CH3:1])[cH:13]1)[C:10](=[O:11])[OH:12].[OH2:9]>CC(=O)O.CC(=O)O.Cl.O=NO.[Na+].[Na+]>[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH2:7][C@@H:8]([OH:9])[C:10](=[O:11])[OH:12])[cH:13]1 JZRBSTONIYRNRI-SECBINFHSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>PVAQRTBQTOOWOQ-SECBINFHSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[OH;D1;+0:6])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[OH2;D0;+0:6] 597e60c00d458940162d7a3f76139b2de64f6543c2b538d3961221d7df07e2ca [CH3:1][C:2](=[O:3])[c:4]1[c:5]([Br:6])[cH:7][cH:8][c:9]([Cl:10])[cH:11]1>C1CCOC1.COB(OC)OC.OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1>[CH3:1][C@@H:2]([OH:3])[c:4]1[c:5]([Br:6])[cH:7][cH:8][c:9]([Cl:10])[cH:11]1 BCQAWQMDMPBDBW-UHFFFAOYSA-N>>HKYNVWVJIOXCQX-RXMQYKEDSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 CS(=O)(=O)O[C@H:17]([CH2:16][CH2:15][CH2:14][CH2:13][n:12]1[c:10](=[O:11])[n:8]([CH3:9])[c:7]2[c:6]([c:4](=[O:5])[cH:3][c:2]([CH3:1])[n:24]2[CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:22]1=[O:23])[CH3:18].[N-:19]=[N+:20]=[N-:21]>CS(C)=O.[Na+]>[CH3:1][c:2]1[cH:3][c:4](=[O:5])[c:6]2[c:7]([n:8]([CH3:9])[c:10](=[O:11])[n:12]([CH2:13][CH2:14][CH2:15][CH2:16][C@@H:17]([CH3:18])[N:19]=[N+:20]=[N-:21])[c:22]2=[O:23])[n:24]1[CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1 FWOXOTIEZKQKTJ-KRWDZBQOSA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>CTDSANMBHMGAAF-OAHLLOKOSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 492c430f48d637aab0c971721cb4d8366eed9f75b9bf7a9ee5b238cfd7eb0d61 O=S1(=O)O[C@@H:16]([CH3:17])[CH2:18][N:19]1[C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][cH:11][c:12]([Br:13])[c:14]2[nH:15]1>CC(C)(C)O.CN(C)C=O.[K+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][cH:11][c:12]([Br:13])[c:14]2[n:15]1[C@H:16]([CH3:17])[CH2:18][NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26] FKIRSCKRJJUCNI-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>MAZVDDKFMWFTBT-GFCCVEGCSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11])-[n;H0;D3;+0:18](:[c:19]):[c:17]-[C:15](=[O;D1;H0:16])-[#8:14]-[C:13]-[C;D1;H3:12]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[C;D1;H3:12]-[C:13]-[#8:14]-[C:15](=[O;D1;H0:16])-[c:17]:[nH;D2;+0:18]:[c:19] ba1d9fbd1693f2ed34667b47ba2f4e68adb021700718e638376e0ac889fb782b O=S1(=O)O[C@@H:17]([CH3:18])[CH2:19][N:20]1[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([Br:12])[c:13]([CH3:14])[c:15]2[nH:16]1>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([Br:12])[c:13]([CH3:14])[c:15]2[n:16]1[C@H:17]([CH3:18])[CH2:19][NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27] WEOMMOGGIIKFFW-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>CRTGZSMXUPIKQP-GFCCVEGCSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11])-[n;H0;D3;+0:18](:[c:19]):[c:17]-[C:15](=[O;D1;H0:16])-[#8:14]-[C:13]-[C;D1;H3:12]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[C;D1;H3:12]-[C:13]-[#8:14]-[C:15](=[O;D1;H0:16])-[c:17]:[nH;D2;+0:18]:[c:19] ba1d9fbd1693f2ed34667b47ba2f4e68adb021700718e638376e0ac889fb782b O=S1(=O)O[C@@H:17]([CH3:18])[CH2:19][N:20]1[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([Cl:12])[c:13]([F:14])[c:15]2[nH:16]1>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([Cl:12])[c:13]([F:14])[c:15]2[n:16]1[C@H:17]([CH3:18])[CH2:19][NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27] RXTPBFBVTOXJHO-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>GCHIGJXRRNHXRV-LLVKDONJSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11])-[n;H0;D3;+0:18](:[c:19]):[c:17]-[C:15](=[O;D1;H0:16])-[#8:14]-[C:13]-[C;D1;H3:12]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[C;D1;H3:12]-[C:13]-[#8:14]-[C:15](=[O;D1;H0:16])-[c:17]:[nH;D2;+0:18]:[c:19] ba1d9fbd1693f2ed34667b47ba2f4e68adb021700718e638376e0ac889fb782b [CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[c:6]4[c:7]([cH:8][c:9]([OH:10])[c:11]([C:12]56[CH2:13][CH:14]7[CH2:15][CH:16]([CH2:17][CH:18]([CH2:19]7)[CH2:20]5)[CH2:21]6)[cH:22]4)[CH2:23][CH2:24][C@H:25]3[C@@H:26]1[CH2:27][CH2:28][C:29]2=[O:30]>CCO.CO.B.[Na+]>[CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[c:6]4[c:7]([cH:8][c:9]([OH:10])[c:11]([C:12]56[CH2:13][CH:14]7[CH2:15][CH:16]([CH2:17][CH:18]([CH2:19]7)[CH2:20]5)[CH2:21]6)[cH:22]4)[CH2:23][CH2:24][C@H:25]3[C@@H:26]1[CH2:27][CH2:28][C@@H:29]2[OH:30] LMJWFOOJBNLQTM-ZWSYRIGPSA-N>>ODXBOHCGAVECCC-NCGIVSJJSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][c:13]([F:14])[cH:15][c:16]([F:17])[cH:18]1)[C:19](=[O:20])[CH2:21][Br:22]>CCCCCC.CCOC(C)=O.B.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][c:13]([F:14])[cH:15][c:16]([F:17])[cH:18]1)[C@H:19]([OH:20])[CH2:21][Br:22] YWFFRFOQMWZDGU-LBPRGKRZSA-N>>LSRAQBPILCOZGT-QWHCGFSZSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][c:13]([F:14])[cH:15][c:16]([F:17])[cH:18]1)[C:19](=[O:20])[CH2:21][Cl:22]>C1CCOC1.CCO.B.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][c:13]([F:14])[cH:15][c:16]([F:17])[cH:18]1)[C@H:19]([OH:20])[CH2:21][Cl:22] SPSOHODOFQZAIX-LBPRGKRZSA-N>>ABQMUAVLBFFIGS-QWHCGFSZSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C:2](=[O:3])[c:4]1[c:5]([Br:6])[cH:7][cH:8][c:9]([Cl:10])[cH:11]1>C1CCOC1.COB(OC)OC.OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1>[CH3:1][C@@H:2]([OH:3])[c:4]1[c:5]([Br:6])[cH:7][cH:8][c:9]([Cl:10])[cH:11]1 BCQAWQMDMPBDBW-UHFFFAOYSA-N>>HKYNVWVJIOXCQX-RXMQYKEDSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c O[C@@H:9]1[c:10]2[c:11]([c:22]3[n:23][c:24]([CH3:25])[c:26]([CH3:27])[n:28]3[cH:29][cH:30]2)[NH:12][C@H:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[C@H:20]1[OH:21].[CH3:1][O:2][CH2:3][CH2:4][O:5][CH2:6][CH2:7][OH:8]>>[CH3:1][O:2][CH2:3][CH2:4][O:5][CH2:6][CH2:7][O:8][C@H:9]1[c:10]2[c:11]([c:22]3[n:23][c:24]([CH3:25])[c:26]([CH3:27])[n:28]3[cH:29][cH:30]2)[NH:12][C@H:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[C@H:20]1[OH:21] FHHGNULEXOWEKU-DJIMGWMZSA-N.SBASXUCJHJRPEV-UHFFFAOYSA-N>>VROIURMGMOPIAW-FCEUIQTBSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:5]-[C:4]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[C:4]-[OH;D1;+0:5] 8ef13bbf3dc8875f638aaf6c625be81274e191046cbc755203d8f4cffef2912d [CH3:1][c:2]1[cH:3][n:4]2[cH:5][cH:6][c:7]3[c:8]([c:21]2[n:22]1)[NH:9][C@H:10]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]([OH:18])[C:19]3=[O:20]>CC(C)O.CO.O.B.[Na+].[Na+]>[CH3:1][c:2]1[cH:3][n:4]2[cH:5][cH:6][c:7]3[c:8]([c:21]2[n:22]1)[NH:9][C@H:10]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]([OH:18])[C@@H:19]3[OH:20] GTOLNOZUXFOHNO-CZUORRHYSA-N>>QJEATJKCZVLZRM-FVQBIDKESA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][O:2][CH2:3][c:4]1[c:5]([CH3:6])[n:7]2[cH:8][cH:9][c:10]3[c:11]([c:24]2[n:25]1)[NH:12][C@H:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[C@@H:20]([OH:21])[C:22]3=[O:23]>CO.B.Cl.N.[Na+]>[CH3:1][O:2][CH2:3][c:4]1[c:5]([CH3:6])[n:7]2[cH:8][cH:9][c:10]3[c:11]([c:24]2[n:25]1)[NH:12][C@H:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[C@@H:20]([OH:21])[C@@H:22]3[OH:23] OXQIBMIUCLFCSQ-CRAIPNDOSA-N>>KFSBHVQIWKBQBU-KBAYOESNSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c CS(=O)(=O)O[C@@H:2]([CH3:1])[CH2:3][CH2:4][CH2:5][CH2:6][n:7]1[c:8](=[O:9])[c:10]2[c:11]([n:12][cH:13][n:14]2[CH3:15])[n:16]([CH3:17])[c:18]1=[O:19].[N-:20]=[N+:21]=[N-:22]>CS(C)=O.O.[Na+]>[CH3:1][C@H:2]([CH2:3][CH2:4][CH2:5][CH2:6][n:7]1[c:8](=[O:9])[c:10]2[c:11]([n:12][cH:13][n:14]2[CH3:15])[n:16]([CH3:17])[c:18]1=[O:19])[N:20]=[N+:21]=[N-:22] IVRMZWNICZWHMI-UHFFFAOYSA-N.KNLXCULOKLRPLG-JTQLQIEISA-N>>JEQSJQSXQXEKJF-SECBINFHSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 492c430f48d637aab0c971721cb4d8366eed9f75b9bf7a9ee5b238cfd7eb0d61 [CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C@H:9]1[CH2:10][CH2:11][C@:12]3([CH3:13])[C@@H:14]([OH:15])[CH2:16][CH:17]=[C:18]3[C@@H:19]1[C@H:20]([CH3:21])[CH2:22]2>CCO.ClCCl.[Pd]>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C@H:9]1[CH2:10][CH2:11][C@:12]3([CH3:13])[C@@H:14]([OH:15])[CH2:16][CH2:17][C@@H:18]3[C@@H:19]1[C@H:20]([CH3:21])[CH2:22]2 YLALKVVIHMYPGS-PQSJUMPYSA-N>>IDFSOCUPRSHPDU-HYUUUNMBSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[CH2;D2;+0:4]-[C:5]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[CH;D2;+0:4]-[C:5] 2ebe65af27f66ccedd51d2f3507b658100042b3e1e515f31ae318985b6f16726 C[S+](C)(=O)[CH3:17].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C@H:9]1[CH2:10][CH2:11][C@:12]3([CH3:13])[C:14](=[O:15])[CH:16]=[CH:18][C@@H:19]3[C@@H:20]1[C@H:21]([CH3:22])[CH2:23]2>CS(C)=O.I>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C@H:9]1[CH2:10][CH2:11][C@:12]3([CH3:13])[C:14](=[O:15])[C@H:16]4[CH2:17][C@H:18]4[C@@H:19]3[C@@H:20]1[C@H:21]([CH3:22])[CH2:23]2 YRYSAWZMIRQUBO-UHFFFAOYSA-N.ZJBVKWZZTXGAQF-LUHGQXDZSA-N>>VGCIYOVFAIXWHR-FENAYWNPSA-N 0.0 Unrecognized True substrate controlled False [C@@H;D3;+0:2]1-[C@@H;D3;+0:3]-[CH2;D2;+0:1]-1>>C-[S+](-C)(=O)-[CH3;D1;+0:1].[CH;D2;+0:2]=[CH;D2;+0:3] 1bb40cf2de8afd30075f7d91d1dd3f655a9c9510bde1e422f481bb551980dd51 [CH3:1][C:2](=[O:3])[O:4][C@H:5]1[CH2:6][CH2:7][C@@:8]2([CH3:9])[C:10](=[CH:11][CH2:12][C@H:13]3[C:14]4=[CH:15][CH2:16][C:17](=[O:18])[C@@:19]4([CH3:20])[CH2:21][CH2:22][C@H:23]23)[CH2:24]1>CCO.B.[Na+]>[CH3:1][C:2](=[O:3])[O:4][C@H:5]1[CH2:6][CH2:7][C@@:8]2([CH3:9])[C:10](=[CH:11][CH2:12][C@H:13]3[C:14]4=[CH:15][CH2:16][C@H:17]([OH:18])[C@@:19]4([CH3:20])[CH2:21][CH2:22][C@H:23]23)[CH2:24]1 LUTSRLYCMSCGCS-BWOMAWGNSA-N>>BMVMDJLEAWSOBJ-BTEPJHDCSA-N 0.0 Unrecognized False substrate controlled False [OH;D1;+0:1]-[C@H;D3;+0:2]1-[C:3]-[C:4]=[C:5]-[C:6]-1>>[O;H0;D1;+0:1]=[C;H0;D3;+0:2]1-[C:3]-[C:4]=[C:5]-[C:6]-1 36ad23a4990d3c272bd8d1221f1c5f7904c4ba0bf8e674016a00854fe7a1c99c [CH3:1][O:2][C:3](=[O:4])[CH2:5][C:6](=[O:7])[CH2:8][Br:9]>CC(C)=O.CCCCOC(C)=O.O=C(O)O.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=P(O)(O)O.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@H:6]([OH:7])[CH2:8][Br:9] CZRWOPRGDPUSDE-UHFFFAOYSA-N>>MBBQAVVBESBLGH-BYPYZUCNSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8] 6d22697717f18276a46a829d2506058ec35ca7c95a696f7fd2a8edc46f88faeb O[C@@H:6]([CH2:7][CH2:8][Cl:9])[c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1.[N:1]#[C:2][c:3]1[c:4]([OH:5])[cH:16][c:17]([Cl:18])[cH:19][cH:20]1>C1CCOC1.CCOC(=O)N=NC(=O)OCC.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[N:1]#[C:2][c:3]1[c:4]([O:5][C@H:6]([CH2:7][CH2:8][Cl:9])[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:16][c:17]([Cl:18])[cH:19][cH:20]1 JZFUHAGLMZWKTF-VIFPVBQESA-N.SMUWKRUWTDAYKS-UHFFFAOYSA-N>>DKIKVQMOTOGPCD-OAHLLOKOSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de [O:1]=[C:2]([CH2:3][Cl:4])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1>CC1=C(C)C(C)([Rh+]Cl)C(C)=C1C.CCN(CC)CC.CCOC(C)=O.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)cc1.O=CO>[OH:1][C@H:2]([CH2:3][Cl:4])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1 IMACFCSSMIZSPP-UHFFFAOYSA-N>>XWCQSILTDPAWDP-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C:17](=[O:18])[CH2:19][Cl:20]>CC1=C(C)C(C)([Rh+]Cl)C(C)=C1C.CCN(CC)CC.CCOC(C)=O.Cc1ccccc1S(=O)(=O)c1ccc(C(N)C(N)c2ccccc2)cc1.O=CO>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]([OH:18])[CH2:19][Cl:20] JAKDNFBATYIEIE-LBPRGKRZSA-N>>GFGQSTIUFXHAJS-STQMWFEESA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH2:7]([CH3:8])[CH:9]=[O:10].[CH3:1][CH:2]([CH3:3])[CH2:4][CH:5]=[O:6]>CCOCC.CN(C)C=O.O=C(O)[C@@H]1CCCN1>[CH3:1][CH:2]([CH3:3])[CH2:4][C@H:5]([OH:6])[C@H:7]([CH3:8])[CH:9]=[O:10] NBBJYMSMWIIQGU-UHFFFAOYSA-N.YGHRJJRRZDOVPD-UHFFFAOYSA-N>>BPENFPDXHBRALU-SFYZADRCSA-N 0.0 Unrecognized False reagent controlled False [C:5]-[C@H;D3;+0:6](-[OH;D1;+0:7])-[C@H;D3;+0:2](-[C;D1;H3:1])-[C:3]=[O;D1;H0:4]>>[C;D1;H3:1]-[CH2;D2;+0:2]-[C:3]=[O;D1;H0:4].[C:5]-[CH;D2;+0:6]=[O;H0;D1;+0:7] 2a64cac367a5dbfa797176468c69f06796cf5321652154a260cf41fd6da25eb1 [CH3:1][CH2:2][CH:3]=[O:4].[CH:5](=[O:6])[CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1>CCOCC.CN(C)C=O.O=C(O)[C@@H]1CCCN1>[CH3:1][C@H:2]([CH:3]=[O:4])[C@@H:5]([OH:6])[CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1 KVFDZFBHBWTVID-UHFFFAOYSA-N.NBBJYMSMWIIQGU-UHFFFAOYSA-N>>RZIDYHIPLPRCBQ-PSASIEDQSA-N 0.0 Unrecognized False reagent controlled False [C:5]-[C@H;D3;+0:6](-[OH;D1;+0:7])-[C@H;D3;+0:2](-[C;D1;H3:1])-[C:3]=[O;D1;H0:4]>>[C;D1;H3:1]-[CH2;D2;+0:2]-[C:3]=[O;D1;H0:4].[C:5]-[CH;D2;+0:6]=[O;H0;D1;+0:7] 2a64cac367a5dbfa797176468c69f06796cf5321652154a260cf41fd6da25eb1 [CH2:6]([CH3:7])[CH:8]=[O:9].[CH3:1][CH:2]([CH3:3])[CH:4]=[O:5]>CCOCC.CN(C)C=O.O=C(O)[C@@H]1CCCN1>[CH3:1][CH:2]([CH3:3])[C@H:4]([OH:5])[C@H:6]([CH3:7])[CH:8]=[O:9] AMIMRNSIRUDHCM-UHFFFAOYSA-N.NBBJYMSMWIIQGU-UHFFFAOYSA-N>>QCIZYYYFUPFZGO-RQJHMYQMSA-N 0.0 Unrecognized False reagent controlled False [C:5]-[C@H;D3;+0:6](-[OH;D1;+0:7])-[C@H;D3;+0:2](-[C;D1;H3:1])-[C:3]=[O;D1;H0:4]>>[C;D1;H3:1]-[CH2;D2;+0:2]-[C:3]=[O;D1;H0:4].[C:5]-[CH;D2;+0:6]=[O;H0;D1;+0:7] 2a64cac367a5dbfa797176468c69f06796cf5321652154a260cf41fd6da25eb1 [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH:6]=[O:7].[CH:8](=[O:9])[CH:10]([CH3:11])[CH3:12]>CCOCC.CN(C)C=O.O=C(O)[C@@H]1CCCN1>[CH3:1][CH2:2][CH2:3][CH2:4][C@H:5]([CH:6]=[O:7])[C@@H:8]([OH:9])[CH:10]([CH3:11])[CH3:12] AMIMRNSIRUDHCM-UHFFFAOYSA-N.JARKCYVAAOWBJS-UHFFFAOYSA-N>>PWGCXMRFKHCNES-ZJUUUORDSA-N 0.0 Unrecognized False reagent controlled False [C:5]-[C@H;D3;+0:6](-[OH;D1;+0:7])-[C@H;D3;+0:2](-[C:1])-[C:3]=[O;D1;H0:4]>>[C:1]-[CH2;D2;+0:2]-[C:3]=[O;D1;H0:4].[C:5]-[CH;D2;+0:6]=[O;H0;D1;+0:7] 2a64cac367a5dbfa797176468c69f06796cf5321652154a260cf41fd6da25eb1 [CH2:6]([CH:7]=[O:8])[CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1.[CH3:1][CH:2]([CH3:3])[CH:4]=[O:5]>CCOC(C)=O.CN(C)C=O.O=C(O)[C@@H]1CCCN1>[CH3:1][CH:2]([CH3:3])[C@H:4]([OH:5])[C@@H:6]([CH:7]=[O:8])[CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1 AMIMRNSIRUDHCM-UHFFFAOYSA-N.YGCZTXZTJXYWCO-UHFFFAOYSA-N>>USCWPPZTNXTINC-OLZOCXBDSA-N 0.0 Unrecognized False reagent controlled False [C:5]-[C@H;D3;+0:6](-[OH;D1;+0:7])-[C@H;D3;+0:2](-[C:1])-[C:3]=[O;D1;H0:4]>>[C:1]-[CH2;D2;+0:2]-[C:3]=[O;D1;H0:4].[C:5]-[CH;D2;+0:6]=[O;H0;D1;+0:7] 2a64cac367a5dbfa797176468c69f06796cf5321652154a260cf41fd6da25eb1 [CH3:1][O:2][C:3](=[O:4])[CH2:5][C:6](=[O:7])[CH2:8][Br:9]>CC(C)=O.CCCCOC(C)=O.O=C(O)O.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=P(O)(O)O.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@H:6]([OH:7])[CH2:8][Br:9] CZRWOPRGDPUSDE-UHFFFAOYSA-N>>MBBQAVVBESBLGH-BYPYZUCNSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8] 923f08f73bcf231a4469a783b476454dfc996b66619f88800e0679ca088598ce [O:1]=[C:2]([CH2:3][Cl:4])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1>CC1=C(C)C(C)([Rh+]Cl)C(C)=C1C.CCN(CC)CC.CCOC(C)=O.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)cc1.O=CO>[OH:1][C@H:2]([CH2:3][Cl:4])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1 IMACFCSSMIZSPP-UHFFFAOYSA-N>>XWCQSILTDPAWDP-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c CS(=O)(=O)O[C@@H:4]1[CH2:5][C@@H:6]([C:7](=[O:8])[c:9]2[c:10]3[s:11][cH:12][cH:13][n:14]3[cH:15][n:16]2)[N:17]([C:18](=[O:19])[O:20][CH2:21][c:22]2[cH:23][cH:24][c:25]([N+:26](=[O:27])[O-:28])[cH:29][cH:30]2)[CH2:31]1.[N-:1]=[N+:2]=[N-:3]>CN(C)C=O.O.[Na+]>[N-:1]=[N+:2]=[N:3][C@H:4]1[CH2:5][C@@H:6]([C:7](=[O:8])[c:9]2[c:10]3[s:11][cH:12][cH:13][n:14]3[cH:15][n:16]2)[N:17]([C:18](=[O:19])[O:20][CH2:21][c:22]2[cH:23][cH:24][c:25]([N+:26](=[O:27])[O-:28])[cH:29][cH:30]2)[CH2:31]1 HSUQPCRCPUYWMV-CABCVRRESA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>VOXGRCFUFQJUQL-JSGCOSHPSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[N;H0;D2;+0:5]=[#7;+:6]=[N;-;D1;H0:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[N-;H0;D1:5]=[#7;+:6]=[N;-;D1;H0:7] cee6527eab5a54306a8d3e1cef9fc6df0aee5943199b78d40e3c41180b7edec1 [CH3:1][c:2]1[c:3]([CH3:4])[n:5]2[cH:6][cH:7][c:8]3[c:9]([c:23]2[n:24]1)[NH:10][C@H:11]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[C@:18]([CH3:19])([OH:20])[C:21]3=[O:22]>CO.B.[Na+]>[CH3:1][c:2]1[c:3]([CH3:4])[n:5]2[cH:6][cH:7][c:8]3[c:9]([c:23]2[n:24]1)[NH:10][C@H:11]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[C@:18]([CH3:19])([OH:20])[C@@H:21]3[OH:22] LEIIWODOEBDUMK-APWZRJJASA-N>>IYVLJJWENFDKKI-LMMKCTJWSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][c:2]1[c:3]([CH3:4])[n:5]2[cH:6][cH:7][c:8]3[c:9]([c:29]2[n:30]1)[NH:10][C@H:11]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[C@@:18]([OH:19])([CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[C:27]3=[O:28]>CO.B.[Na+]>[CH3:1][c:2]1[c:3]([CH3:4])[n:5]2[cH:6][cH:7][c:8]3[c:9]([c:29]2[n:30]1)[NH:10][C@H:11]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[C@@:18]([OH:19])([CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[C@H:27]3[OH:28] REFFAOXFNWGTCG-RDGATRHJSA-N>>XVZZFDAPTMFMCX-CUYJMHBOSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 O[C@@H:6]1[c:7]2[c:8]([c:20]3[n:21][c:22]([CH3:23])[c:24]([CH3:25])[n:26]3[cH:27][cH:28]2)[NH:9][C@H:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[C@:17]1([CH3:18])[OH:19].[CH3:1][O:2][CH2:3][CH2:4][OH:5]>ClCCl.O=C(O)O.O=S(=O)(O)O.[Na+]>[CH3:1][O:2][CH2:3][CH2:4][O:5][C@H:6]1[c:7]2[c:8]([c:20]3[n:21][c:22]([CH3:23])[c:24]([CH3:25])[n:26]3[cH:27][cH:28]2)[NH:9][C@H:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[C@:17]1([CH3:18])[OH:19] IYVLJJWENFDKKI-LMMKCTJWSA-N.XNWFRZJHXBZDAG-UHFFFAOYSA-N>>AFPZHFDKTVWWQX-URVUXULASA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:5]-[C:4]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[C:4]-[OH;D1;+0:5] 8ef13bbf3dc8875f638aaf6c625be81274e191046cbc755203d8f4cffef2912d [CH3:1][CH:2]([CH3:3])[Si:4]([O:5][CH2:6][C@@H:7]([CH3:8])[C@H:9]1[CH2:10][CH2:11][C@H:12]2[C@@H:13]3[CH2:14][CH:15]=[C:16]4[C:17]([CH3:18])([CH3:19])[C:20](=[O:21])[CH2:22][CH2:23][C@:24]4([CH3:25])[C@H:26]3[CH2:27][CH2:28][C@:29]12[CH3:30])([CH:31]([CH3:32])[CH3:33])[CH:34]([CH3:35])[CH3:36]>C1CCOC1.O.[Al+3].[HH].[HH].[HH].[HH].[Li+].[Na+].O>[CH3:1][CH:2]([CH3:3])[Si:4]([O:5][CH2:6][C@@H:7]([CH3:8])[C@H:9]1[CH2:10][CH2:11][C@H:12]2[C@@H:13]3[CH2:14][CH:15]=[C:16]4[C:17]([CH3:18])([CH3:19])[C@@H:20]([OH:21])[CH2:22][CH2:23][C@:24]4([CH3:25])[C@H:26]3[CH2:27][CH2:28][C@:29]12[CH3:30])([CH:31]([CH3:32])[CH3:33])[CH:34]([CH3:35])[CH3:36] LUDBBCRGJSDSIN-OMJGJPNMSA-N>>RAVPVXLUNHXLHI-YOFBAJCKSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[C:1]=[C:2]-[C:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] a151f5e9b802151b9faa8b0e95d37e4b20ecdf5020ffa32b2705f9b7a2e484eb [CH3:1][c:2]1[c:3]([C:4](=[O:5])[CH:6]2[CH2:7][CH2:8]2)[cH:9][cH:10][cH:11][cH:12]1>CC(C)(C)O.CC(C)O.N[C@@H](c1ccccc1)[C@@H](N)c1ccccc1.[K+]>[CH3:1][c:2]1[c:3]([C@H:4]([OH:5])[CH:6]2[CH2:7][CH2:8]2)[cH:9][cH:10][cH:11][cH:12]1 TVMDTEZRTBZOQO-UHFFFAOYSA-N>>KNIQSIAZIIYPCG-LLVKDONJSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][C:2](=[O:3])[N:4]1[c:5]2[c:6]([cH:7][cH:8][n:9]3[c:10]2[n:11][c:12]([CH3:13])[c:14]3[CH3:15])[C:16](=[O:17])[C@H:18]([O:19][C:20](=[O:21])[C:22]([CH3:23])([CH3:24])[CH3:25])[C@H:26]1[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1>CC(C)O.CN(C)c1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1.Cl.ClCCl.N.BC#N.[Na+]>[CH3:1][C:2](=[O:3])[N:4]1[c:5]2[c:6]([cH:7][cH:8][n:9]3[c:10]2[n:11][c:12]([CH3:13])[c:14]3[CH3:15])[C@@H:16]([OH:17])[C@H:18]([O:19][C:20](=[O:21])[C:22]([CH3:23])([CH3:24])[CH3:25])[C@H:26]1[c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1 KNQNAHFQOZRBSF-DENIHFKCSA-N>>RGUXLKCFTDDMSA-CEMLEFRQSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C:2](-[#8:3]-[C:4](=[O;D1;H0:5])-[C:6](-[C;D1;H3:7])(-[C;D1;H3:8])-[C;D1;H3:9])-[C@H;D3;+0:10](-[OH;D1;+0:11])-[c:12]>>[C:1]-[C:2](-[#8:3]-[C:4](=[O;D1;H0:5])-[C:6](-[C;D1;H3:7])(-[C;D1;H3:8])-[C;D1;H3:9])-[C;H0;D3;+0:10](=[O;H0;D1;+0:11])-[c:12] 68899baad5cf0e2e3a525805a9f485f52ac68e20b3b0e195d0570ec09d81a993 O=S1(=O)O[C@@H:17]([CH3:18])[CH2:19][N:20]1[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[c:13]([CH3:14])[c:15]2[nH:16]1>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[c:13]([CH3:14])[c:15]2[n:16]1[C@H:17]([CH3:18])[CH2:19][NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27] NBKQKNZUPXLSKV-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>JYNBPJBCACZTIS-CQSZACIVSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11])-[n;H0;D3;+0:18](:[c:19]):[c:17]-[C:15](=[O;D1;H0:16])-[#8:14]-[C:13]-[C;D1;H3:12]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[C;D1;H3:12]-[C:13]-[#8:14]-[C:15](=[O;D1;H0:16])-[c:17]:[nH;D2;+0:18]:[c:19] ba1d9fbd1693f2ed34667b47ba2f4e68adb021700718e638376e0ac889fb782b O=S1(=O)O[C@@H:16]([CH3:17])[CH2:18][N:19]1[C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([Br:12])[cH:13][c:14]2[nH:15]1>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([Br:12])[cH:13][c:14]2[n:15]1[C@H:16]([CH3:17])[CH2:18][NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26] FVMZWWFKRMBNSZ-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>IKSUHXBPFTYQJQ-GFCCVEGCSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11])-[n;H0;D3;+0:18](:[c:19]):[c:17]-[C:15](=[O;D1;H0:16])-[#8:14]-[C:13]-[C;D1;H3:12]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[C;D1;H3:12]-[C:13]-[#8:14]-[C:15](=[O;D1;H0:16])-[c:17]:[nH;D2;+0:18]:[c:19] ba1d9fbd1693f2ed34667b47ba2f4e68adb021700718e638376e0ac889fb782b O=S1(=O)O[C@@H:16]([CH3:17])[CH2:18][N:19]1[C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:9]([Cl:10])[cH:11][cH:12][cH:13][c:14]2[nH:15]1>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:9]([Cl:10])[cH:11][cH:12][cH:13][c:14]2[n:15]1[C@H:16]([CH3:17])[CH2:18][NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26] XWNVSPGTJSGNPU-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>ACGHZCMAXSMPRH-GFCCVEGCSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11])-[n;H0;D3;+0:18](:[c:19]):[c:17]-[C:15](=[O;D1;H0:16])-[#8:14]-[C:13]-[C;D1;H3:12]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[C;D1;H3:12]-[C:13]-[#8:14]-[C:15](=[O;D1;H0:16])-[c:17]:[nH;D2;+0:18]:[c:19] ba1d9fbd1693f2ed34667b47ba2f4e68adb021700718e638376e0ac889fb782b O=S1(=O)O[C@@H:20]([CH3:21])[CH2:22][N:23]1[C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][c:10]([CH3:11])[c:12]([C:13]([F:14])([F:15])[F:16])[cH:17][c:18]2[nH:19]1>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][c:10]([CH3:11])[c:12]([C:13]([F:14])([F:15])[F:16])[cH:17][c:18]2[n:19]1[C@H:20]([CH3:21])[CH2:22][NH:23][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30] WQHIUDDIDWTRBI-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>AYZHLERWRPSCIT-CYBMUJFWSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:12]-[C:13]-[#8:14]-[C:15](=[O;D1;H0:16])-[c:17]:[n;H0;D3;+0:18](:[c:19])-[C@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[C;D1;H3:12]-[C:13]-[#8:14]-[C:15](=[O;D1;H0:16])-[c:17]:[nH;D2;+0:18]:[c:19] ba1d9fbd1693f2ed34667b47ba2f4e68adb021700718e638376e0ac889fb782b O=S1(=O)O[C@@H:17]([CH3:18])[CH2:19][N:20]1[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][c:10]([F:11])[c:12]([Cl:13])[cH:14][c:15]2[nH:16]1>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][c:10]([F:11])[c:12]([Cl:13])[cH:14][c:15]2[n:16]1[C@H:17]([CH3:18])[CH2:19][NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27] KITAYCDBMMPIMA-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>PPRAPJONRYJDFE-LLVKDONJSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11])-[n;H0;D3;+0:18](:[c:19]):[c:17]-[C:15](=[O;D1;H0:16])-[#8:14]-[C:13]-[C;D1;H3:12]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[C;D1;H3:12]-[C:13]-[#8:14]-[C:15](=[O;D1;H0:16])-[c:17]:[nH;D2;+0:18]:[c:19] ba1d9fbd1693f2ed34667b47ba2f4e68adb021700718e638376e0ac889fb782b O=S1(=O)O[C@@H:17]([CH3:18])[CH2:19][N:20]1[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:9]([Cl:10])[cH:11][cH:12][c:13]([F:14])[c:15]2[nH:16]1>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:9]([Cl:10])[cH:11][cH:12][c:13]([F:14])[c:15]2[n:16]1[C@H:17]([CH3:18])[CH2:19][NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27] WYPBAFZQXKZXBX-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>LSGNITUKEBVOTR-LLVKDONJSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11])-[n;H0;D3;+0:18](:[c:19]):[c:17]-[C:15](=[O;D1;H0:16])-[#8:14]-[C:13]-[C;D1;H3:12]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[C;D1;H3:12]-[C:13]-[#8:14]-[C:15](=[O;D1;H0:16])-[c:17]:[nH;D2;+0:18]:[c:19] ba1d9fbd1693f2ed34667b47ba2f4e68adb021700718e638376e0ac889fb782b O=S1(=O)O[C@@H:17]([CH3:18])[CH2:19][N:20]1[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([F:12])[c:13]([F:14])[c:15]2[nH:16]1>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([F:12])[c:13]([F:14])[c:15]2[n:16]1[C@H:17]([CH3:18])[CH2:19][NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27] CFZCWHAKGSCQLC-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>PZWGXOOANLOZNX-LLVKDONJSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11])-[n;H0;D3;+0:18](:[c:19]):[c:17]-[C:15](=[O;D1;H0:16])-[#8:14]-[C:13]-[C;D1;H3:12]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[C;D1;H3:12]-[C:13]-[#8:14]-[C:15](=[O;D1;H0:16])-[c:17]:[nH;D2;+0:18]:[c:19] ba1d9fbd1693f2ed34667b47ba2f4e68adb021700718e638376e0ac889fb782b O=S1(=O)O[C@@H:17]([CH3:18])[CH2:19][N:20]1[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([F:12])[c:13]([CH3:14])[c:15]2[nH:16]1>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([F:12])[c:13]([CH3:14])[c:15]2[n:16]1[C@H:17]([CH3:18])[CH2:19][NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27] NPRDQOSFBHFWDI-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>MWMVPKZJEBCEFZ-GFCCVEGCSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11])-[n;H0;D3;+0:18](:[c:19]):[c:17]-[C:15](=[O;D1;H0:16])-[#8:14]-[C:13]-[C;D1;H3:12]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[C;D1;H3:12]-[C:13]-[#8:14]-[C:15](=[O;D1;H0:16])-[c:17]:[nH;D2;+0:18]:[c:19] ba1d9fbd1693f2ed34667b47ba2f4e68adb021700718e638376e0ac889fb782b O=S1(=O)O[C@@H:17]([CH3:18])[CH2:19][N:20]1[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][c:10]([CH3:11])[cH:12][c:13]([Cl:14])[c:15]2[nH:16]1>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][c:10]([CH3:11])[cH:12][c:13]([Cl:14])[c:15]2[n:16]1[C@H:17]([CH3:18])[CH2:19][NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27] BHRHNUMJFDCIJF-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>LROVGXRQNHHZPC-CYBMUJFWSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11])-[n;H0;D3;+0:18](:[c:19]):[c:17]-[C:15](=[O;D1;H0:16])-[#8:14]-[C:13]-[C;D1;H3:12]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[C;D1;H3:12]-[C:13]-[#8:14]-[C:15](=[O;D1;H0:16])-[c:17]:[nH;D2;+0:18]:[c:19] ba1d9fbd1693f2ed34667b47ba2f4e68adb021700718e638376e0ac889fb782b [CH3:1][c:2]1[c:3]([C:4](=[O:5])[CH:6]2[CH2:7][CH2:8]2)[cH:9][cH:10][cH:11][cH:12]1>CC(C)(C)O.CC(C)O.N[C@@H](c1ccccc1)[C@@H](N)c1ccccc1.[K+]>[CH3:1][c:2]1[c:3]([C@H:4]([OH:5])[CH:6]2[CH2:7][CH2:8]2)[cH:9][cH:10][cH:11][cH:12]1 TVMDTEZRTBZOQO-UHFFFAOYSA-N>>KNIQSIAZIIYPCG-LLVKDONJSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c O=S1(=O)O[C@@H:17]([CH3:18])[CH2:19][N:20]1[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:9]([CH3:10])[cH:11][cH:12][c:13]([CH3:14])[c:15]2[nH:16]1>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:9]([CH3:10])[cH:11][cH:12][c:13]([CH3:14])[c:15]2[n:16]1[C@H:17]([CH3:18])[CH2:19][NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27] IMTWCOLMLKHDJT-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>KPMMXXNDHSLVKM-OAHLLOKOSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11])-[n;H0;D3;+0:18](:[c:19]):[c:17]-[C:15](=[O;D1;H0:16])-[#8:14]-[C:13]-[C;D1;H3:12]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[C;D1;H3:12]-[C:13]-[#8:14]-[C:15](=[O;D1;H0:16])-[c:17]:[nH;D2;+0:18]:[c:19] ba1d9fbd1693f2ed34667b47ba2f4e68adb021700718e638376e0ac889fb782b O=S1(=O)O[C@@H:17]([CH3:18])[CH2:19][N:20]1[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([Cl:12])[c:13]([CH3:14])[c:15]2[nH:16]1>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([Cl:12])[c:13]([CH3:14])[c:15]2[n:16]1[C@H:17]([CH3:18])[CH2:19][NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27] YNDWEYPVECNWPU-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>BVQWOGVOYYEQPB-GFCCVEGCSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11])-[n;H0;D3;+0:18](:[c:19]):[c:17]-[C:15](=[O;D1;H0:16])-[#8:14]-[C:13]-[C;D1;H3:12]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[C;D1;H3:12]-[C:13]-[#8:14]-[C:15](=[O;D1;H0:16])-[c:17]:[nH;D2;+0:18]:[c:19] ba1d9fbd1693f2ed34667b47ba2f4e68adb021700718e638376e0ac889fb782b O=S1(=O)O[C@@H:17]([CH3:18])[CH2:19][N:20]1[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[c:13]([Cl:14])[c:15]2[nH:16]1>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[c:13]([Cl:14])[c:15]2[n:16]1[C@H:17]([CH3:18])[CH2:19][NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27] MSAFHAPZXWNMSH-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>MXQDPJDKGXHPGI-CYBMUJFWSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11])-[n;H0;D3;+0:18](:[c:19]):[c:17]-[C:15](=[O;D1;H0:16])-[#8:14]-[C:13]-[C;D1;H3:12]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[C;D1;H3:12]-[C:13]-[#8:14]-[C:15](=[O;D1;H0:16])-[c:17]:[nH;D2;+0:18]:[c:19] ba1d9fbd1693f2ed34667b47ba2f4e68adb021700718e638376e0ac889fb782b O=S1(=O)O[C@@H:18]([CH3:19])[CH2:20][N:21]1[C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]3[c:15]([c:16]2[nH:17]1)[CH2:14][CH2:13][CH2:12]3>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]3[c:15]([c:16]2[n:17]1[C@H:18]([CH3:19])[CH2:20][NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:14][CH2:13][CH2:12]3 CNGHPDQDYYYUJE-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>GYQGPHQSESZOJQ-CQSZACIVSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11])-[n;H0;D3;+0:18](:[c:19]):[c:17]-[C:15](=[O;D1;H0:16])-[#8:14]-[C:13]-[C;D1;H3:12]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[C;D1;H3:12]-[C:13]-[#8:14]-[C:15](=[O;D1;H0:16])-[c:17]:[nH;D2;+0:18]:[c:19] ba1d9fbd1693f2ed34667b47ba2f4e68adb021700718e638376e0ac889fb782b O=S1(=O)O[C@@H:16]([CH3:17])[CH2:18][N:19]1[C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][c:10]([CH3:11])[cH:12][cH:13][c:14]2[nH:15]1>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][c:10]([CH3:11])[cH:12][cH:13][c:14]2[n:15]1[C@H:16]([CH3:17])[CH2:18][NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26] KMVFKXFOPNKHEM-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>QHMRETDVOPIVAM-CQSZACIVSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11])-[n;H0;D3;+0:18](:[c:19]):[c:17]-[C:15](=[O;D1;H0:16])-[#8:14]-[C:13]-[C;D1;H3:12]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[C;D1;H3:12]-[C:13]-[#8:14]-[C:15](=[O;D1;H0:16])-[c:17]:[nH;D2;+0:18]:[c:19] ba1d9fbd1693f2ed34667b47ba2f4e68adb021700718e638376e0ac889fb782b O=S1(=O)O[C@@H:17]([CH3:18])[CH2:19][N:20]1[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][c:10]([F:11])[cH:12][c:13]([Br:14])[c:15]2[nH:16]1>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][c:10]([F:11])[cH:12][c:13]([Br:14])[c:15]2[n:16]1[C@H:17]([CH3:18])[CH2:19][NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27] ZAUJOWOCPLOJNM-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>UXQODLHHBWTHRQ-LLVKDONJSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11])-[n;H0;D3;+0:18](:[c:19]):[c:17]-[C:15](=[O;D1;H0:16])-[#8:14]-[C:13]-[C;D1;H3:12]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[C;D1;H3:12]-[C:13]-[#8:14]-[C:15](=[O;D1;H0:16])-[c:17]:[nH;D2;+0:18]:[c:19] ba1d9fbd1693f2ed34667b47ba2f4e68adb021700718e638376e0ac889fb782b O=S1(=O)O[C@@H:17]([CH3:18])[CH2:19][N:20]1[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[c:13]([Br:14])[c:15]2[nH:16]1>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([CH3:12])[c:13]([Br:14])[c:15]2[n:16]1[C@H:17]([CH3:18])[CH2:19][NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27] LLWGGHFPDPDGBB-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>NIEZZGZEEDVZND-CYBMUJFWSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11])-[n;H0;D3;+0:18](:[c:19]):[c:17]-[C:15](=[O;D1;H0:16])-[#8:14]-[C:13]-[C;D1;H3:12]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[C;D1;H3:12]-[C:13]-[#8:14]-[C:15](=[O;D1;H0:16])-[c:17]:[nH;D2;+0:18]:[c:19] ba1d9fbd1693f2ed34667b47ba2f4e68adb021700718e638376e0ac889fb782b O[C@H:4]([CH:2]([CH3:1])[CH3:3])[CH2:5][n:6]1[cH:7][cH:8][n:9][cH:10]1.[OH:11][c:12]1[cH:13][cH:14][c:15]2[c:21]([c:22]1[N+:23](=[O:24])[O-:25])[CH2:20][CH2:19][CH2:18][C:16]2=[O:17]>C1CCOC1.CCOC(=O)/N=N/C(=O)OCC.CO.ClCCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][CH:2]([CH3:3])[C@@H:4]([CH2:5][n:6]1[cH:7][cH:8][n:9][cH:10]1)[O:11][c:12]1[cH:13][cH:14][c:15]2[c:21]([c:22]1[N+:23](=[O:24])[O-:25])[CH2:20][CH2:19][CH2:18][C:16]2=[O:17] HZSRTDMOBFCHHV-QMMMGPOBSA-N.OUPVOXVEKUXSOI-UHFFFAOYSA-N>>QWCUQDPVPFJGQC-QGZVFWFLSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@H;D3;+0:1](-[C:2])-[C:3].[OH;D1;+0:4]-[c:5] 1fb8966dfb48b018f92f0015dcbbb931b65d0347fa8b3dc61ba757db2f947ea3 O[C@@H:16]([CH2:17][n:18]1[cH:19][cH:20][n:21][cH:22]1)[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([S:9](=[O:10])(=[O:11])[CH2:12][c:13]2[c:14]([OH:15])[cH:29][cH:30][c:31]3[c:32]2[CH2:33][CH2:34][CH2:35][C:36]3=[O:37])[cH:38][cH:39]1>CCOC(=O)N=NC(=O)OCC.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([S:9](=[O:10])(=[O:11])[CH2:12][c:13]2[c:14]([O:15][C@H:16]([CH2:17][n:18]3[cH:19][cH:20][n:21][cH:22]3)[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[cH:29][cH:30][c:31]3[c:32]2[CH2:33][CH2:34][CH2:35][C:36]3=[O:37])[cH:38][cH:39]1 NTWZHQAXJSJOIB-NSHDSACASA-N.YORWTZFKCDSVFJ-UHFFFAOYSA-N>>BOYAXNSBVREAPS-GDLZYMKVSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de O[C@@H:15]([CH2:16][n:17]1[cH:18][cH:19][n:20][cH:21]1)[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([S:8](=[O:9])(=[O:10])[CH2:11][c:12]2[c:13]([OH:14])[cH:28][cH:29][c:30]3[c:31]2[CH2:32][CH2:33][CH2:34][C:35]3=[O:36])[cH:37][cH:38][cH:39]1>CCOC(=O)N=NC(=O)OCC.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([S:8](=[O:9])(=[O:10])[CH2:11][c:12]2[c:13]([O:14][C@H:15]([CH2:16][n:17]3[cH:18][cH:19][n:20][cH:21]3)[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[cH:28][cH:29][c:30]3[c:31]2[CH2:32][CH2:33][CH2:34][C:35]3=[O:36])[cH:37][cH:38][cH:39]1 NRLDUFHLFRWVEI-UHFFFAOYSA-N.NTWZHQAXJSJOIB-NSHDSACASA-N>>LVSLRXYTMPIRFA-GDLZYMKVSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de O[C@@H:14]([CH2:15][n:16]1[cH:17][cH:18][n:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([S:9][CH2:10][c:11]2[c:12]([OH:13])[cH:27][cH:28][c:29]3[c:30]2[CH2:31][CH2:32][CH2:33][C:34]3=[O:35])[cH:36][cH:37]1>CCOC(=O)N=NC(=O)OCC.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([S:9][CH2:10][c:11]2[c:12]([O:13][C@H:14]([CH2:15][n:16]3[cH:17][cH:18][n:19][cH:20]3)[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[cH:27][cH:28][c:29]3[c:30]2[CH2:31][CH2:32][CH2:33][C:34]3=[O:35])[cH:36][cH:37]1 NTWZHQAXJSJOIB-NSHDSACASA-N.QXKBALGQZPUFET-UHFFFAOYSA-N>>XDYQDNFHDLTFKN-GDLZYMKVSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de O[C@@H:13]([CH2:14][n:15]1[cH:16][cH:17][n:18][cH:19]1)[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([S:8][CH2:9][c:10]2[c:11]([OH:12])[cH:26][cH:27][c:28]3[c:29]2[CH2:30][CH2:31][CH2:32][C:33]3=[O:34])[cH:35][cH:36][cH:37]1>CCOC(=O)N=NC(=O)OCC.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([S:8][CH2:9][c:10]2[c:11]([O:12][C@H:13]([CH2:14][n:15]3[cH:16][cH:17][n:18][cH:19]3)[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:26][cH:27][c:28]3[c:29]2[CH2:30][CH2:31][CH2:32][C:33]3=[O:34])[cH:35][cH:36][cH:37]1 NTWZHQAXJSJOIB-NSHDSACASA-N.WBPLMFGZVDMQDE-UHFFFAOYSA-N>>FMUOVMUFLOJJAM-GDLZYMKVSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de [CH3:1][C@:2]12[CH2:3][CH:4]([CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][Cl:10])[C:11]3=[C:12]4[C:13](=[CH:14][C:15](=[O:16])[CH2:17][CH2:18]4)[CH2:19][CH2:20][C@H:21]3[C@@H:22]1[CH2:23][CH2:24][C:25]2=[O:26]>CCO.[Pd]>[CH3:1][C@:2]12[CH2:3][CH:4]([CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][Cl:10])[C@@H:11]3[c:12]4[c:13]([cH:14][c:15]([OH:16])[cH:17][cH:18]4)[CH2:19][CH2:20][C@H:21]3[C@@H:22]1[CH2:23][CH2:24][C:25]2=[O:26] KITOSWMJWIPMQN-PGQGVVAGSA-N>>IOXYIFUVDCRRDY-PTRWRDJUSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[c;H0;D3;+0:2]1:[cH;D2;+0:3]:[c;H0;D3;+0:4](-[OH;D1;+0:5]):[cH;D2;+0:6]:[cH;D2;+0:7]:[c;H0;D3;+0:8]:1-[C@H;D3;+0:9](-[C:10])-[C:11]>>[C:1]-[C;H0;D3;+0:2]1=[CH;D2;+0:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[CH2;D2;+0:6]-[CH2;D2;+0:7]-[C;H0;D3;+0:8]-1=[C;H0;D3;+0:9](-[C:10])-[C:11] b11d93811089da6c475fad09d85a16e74f7d0e6baeb30f56b8fe06b1da24c2e5 Br[C@H:6]1[C@@H:5]([O:4][C:2]([CH3:1])=[O:3])[C@H:23]([O:24][C:25]([CH3:26])=[O:27])[C@H:18]([O:19][C:20]([CH3:21])=[O:22])[CH2:17][O:16]1.[OH:7][c:8]1[cH:9][cH:10][c:11]([CH:12]=[O:13])[cH:14][cH:15]1>CCCC[N+](CCCC)(CCCC)CCCC.ClCCl.O.Br.[Na+].O>[CH3:1][C:2](=[O:3])[O:4][C@@H:5]1[C@H:6]([O:7][c:8]2[cH:9][cH:10][c:11]([CH:12]=[O:13])[cH:14][cH:15]2)[O:16][CH2:17][C@@H:18]([O:19][C:20]([CH3:21])=[O:22])[C@H:23]1[O:24][C:25]([CH3:26])=[O:27] AVNRQUICFRHQDY-CHWFTXMASA-N.RGHHSNMVTDWUBI-UHFFFAOYSA-N>>QBGQSZOTKPYQFU-BDXSIMOUSA-N 0.0 Unrecognized False stereospecific False [#8:2]-[C@@H;D3;+0:1](-[O;H0;D2;+0:13]-[c:14])-[C:3](-[#8:4]-[C:5](-[C;D1;H3:6])=[O;D1;H0:7])-[C:8]-[#8:9]-[C:10](-[C;D1;H3:11])=[O;D1;H0:12]>>Br-[C@H;D3;+0:1](-[#8:2])-[C:3](-[#8:4]-[C:5](-[C;D1;H3:6])=[O;D1;H0:7])-[C:8]-[#8:9]-[C:10](-[C;D1;H3:11])=[O;D1;H0:12].[OH;D1;+0:13]-[c:14] ed63ffb1f452003c0294c07f53bfd50fb89dec36391702e92262fd0302a11238 [CH3:1][CH2:2][O:3][CH2:4][C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[CH:20](=[O:21])[c:22]1[c:23]([CH3:24])[cH:25][c:26]([O:27][CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:35][cH:36]1>CCCC[B+]CCCC.CCN(CC)CC.ClCCl.O=S(=O)(O)C(F)(F)F>[CH3:1][CH2:2][O:3][C@H:4]([C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[C@H:20]([OH:21])[c:22]1[c:23]([CH3:24])[cH:25][c:26]([O:27][CH2:28][c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:35][cH:36]1 OGVPJBJWJCZBTH-UHFFFAOYSA-N.UZCXCVNBSPOTNE-LBPRGKRZSA-N>>YNCVKPIBXMNLBV-RNJDCESWSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2](=[O;D1;H0:3])-[C@@H;D3;+0:4](-[#8:5])-[C@H;D3;+0:7](-[OH;D1;+0:6])-[c:8]>>[#7:1]-[C:2](=[O;D1;H0:3])-[CH2;D2;+0:4]-[#8:5].[O;H0;D1;+0:6]=[CH;D2;+0:7]-[c:8] 58d4fe80ba1c7a48ee1ec1c2337629c791732ab635be2fd1317597cb9bb5c92c [CH3:1][CH2:2][O:3][CH2:4][C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[CH:20](=[O:21])[c:22]1[c:23]([C:24]([F:25])([F:26])[F:27])[cH:28][c:29]([O:30][CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:38][cH:39]1>CCCC[B+]CCCC.CCN(CC)CC.O=S(=O)(O)C(F)(F)F>[CH3:1][CH2:2][O:3][C@H:4]([C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[C@H:20]([OH:21])[c:22]1[c:23]([C:24]([F:25])([F:26])[F:27])[cH:28][c:29]([O:30][CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:38][cH:39]1 LRTMKGSVSNXZSP-UHFFFAOYSA-N.UZCXCVNBSPOTNE-LBPRGKRZSA-N>>XYPSZOYGSSRBGB-BYXVTNLJSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2](=[O;D1;H0:3])-[C@@H;D3;+0:4](-[#8:5])-[C@H;D3;+0:7](-[OH;D1;+0:6])-[c:8]>>[#7:1]-[C:2](=[O;D1;H0:3])-[CH2;D2;+0:4]-[#8:5].[O;H0;D1;+0:6]=[CH;D2;+0:7]-[c:8] 58d4fe80ba1c7a48ee1ec1c2337629c791732ab635be2fd1317597cb9bb5c92c Br[C@H:18]1[O:19][C@H:20]([CH2:21][O:22][C:23]([CH3:24])=[O:25])[C@@H:26]([O:27][C:28]([CH3:29])=[O:30])[C@H:31]([O:32][C:33]([CH3:34])=[O:35])[C@H:36]1[O:37][C:38]([CH3:39])=[O:40].[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][c:8]2[c:9]([C:10]([F:11])([F:12])[F:13])[nH:14][nH:15][c:16]2=[O:17])[cH:41][cH:42]1>CC#N.O.O=C(O)O.[K+].[K+]>[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][c:8]2[c:9]([C:10]([F:11])([F:12])[F:13])[nH:14][n:15][c:16]2[O:17][C@@H:18]2[O:19][C@H:20]([CH2:21][O:22][C:23]([CH3:24])=[O:25])[C@@H:26]([O:27][C:28]([CH3:29])=[O:30])[C@H:31]([O:32][C:33]([CH3:34])=[O:35])[C@H:36]2[O:37][C:38]([CH3:39])=[O:40])[cH:41][cH:42]1 CYAYKKUWALRRPA-RGDJUOJXSA-N.OSDLDYCKEYCPPZ-UHFFFAOYSA-N>>VGLCCKDTXOJZJZ-ILJOYBHNSA-N 0.0 Unrecognized False stereospecific False [#8:2]-[C@@H;D3;+0:1](-[O;H0;D2;+0:13]-[c;H0;D3;+0:14]1:[c:15]:[c:16]:[#7;a:17]:[n;H0;D2;+0:18]:1)-[C:3](-[#8:4]-[C:5](-[C;D1;H3:6])=[O;D1;H0:7])-[C:8]-[#8:9]-[C:10](-[C;D1;H3:11])=[O;D1;H0:12]>>Br-[C@@H;D3;+0:1](-[#8:2])-[C:3](-[#8:4]-[C:5](-[C;D1;H3:6])=[O;D1;H0:7])-[C:8]-[#8:9]-[C:10](-[C;D1;H3:11])=[O;D1;H0:12].[O;H0;D1;+0:13]=[c;H0;D3;+0:14]1:[c:15]:[c:16]:[#7;a:17]:[nH;D2;+0:18]:1 82e8dc8a861152172676c3aa652db09ddab1e7f31850ee1c3468880ffefbbcdf [CH3:1][C:2]1([CH3:3])[O:4][CH2:5][C@@H:6]([CH2:7][C@H:8]2[c:9]3[c:10]([cH:11][cH:12][cH:13][cH:14]3)[CH2:15][c:16]3[c:17]([cH:18][c:19]([F:20])[cH:21][cH:22]3)[C:23]2=[O:24])[O:25]1>CC(C)O.O=P(O)(O)O.B.[Na+]>[CH3:1][C:2]1([CH3:3])[O:4][CH2:5][C@@H:6]([CH2:7][C@H:8]2[c:9]3[c:10]([cH:11][cH:12][cH:13][cH:14]3)[CH2:15][c:16]3[c:17]([cH:18][c:19]([F:20])[cH:21][cH:22]3)[C@H:23]2[OH:24])[O:25]1 GZVDCEFZGMFEFK-APWZRJJASA-N>>IDTQEQMAKSAVIC-LSTHTHJFSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][C:9](=[O:10])[CH2:11][C@H:12]([OH:13])[CH2:14][O:15][C:16](=[O:17])[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1>CO.O.[H][H]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][C@H:9]([OH:10])[CH2:11][C@H:12]([OH:13])[CH2:14][O:15][C:16](=[O:17])[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1 LXNMDVIPWIOXIE-AWEZNQCLSA-N>>AHXYUJKKWJLJCS-KGLIPLIRSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11] 0afd88cd782eb1bee9f12e6fbe748f36472b2ceb528af5741a258a3549fccbe3 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][C:9](=[O:10])[CH2:11][C@H:12]([OH:13])[CH2:14][O:15][C:16](=[O:17])[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1>CO.O.[H][H]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][C@@H:9]([OH:10])[CH2:11][C@H:12]([OH:13])[CH2:14][O:15][C:16](=[O:17])[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1 LXNMDVIPWIOXIE-AWEZNQCLSA-N>>AHXYUJKKWJLJCS-KBPBESRZSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11] 0e1d69f48cbf8ac8f61d083080659de3e075286a2dc558bcf97b2d2221b4f6b3 CS(=O)(=O)O[C@@H:5]1[CH2:6][CH2:7][N:8]([c:9]2[n:10][c:11]([C:12]([NH2:13])=[O:14])[cH:15][s:16]2)[CH2:17]1.[CH3:1][C:2]([OH:3])=[S:4]>CC#N.[K+]>[CH3:1][C:2](=[O:3])[S:4][C@H:5]1[CH2:6][CH2:7][N:8]([c:9]2[n:10][c:11]([C:12]([NH2:13])=[O:14])[cH:15][s:16]2)[CH2:17]1 DUYAAUVXQSMXQP-UHFFFAOYSA-N.QSUHNQVFQYJUDY-ZCFIWIBFSA-N>>QRYNEEDPQORHFJ-ZETCQYMHSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:8]-[C;H0;D3;+0:6](-[C;D1;H3:5])=[O;H0;D1;+0:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C;D1;H3:5]-[C;H0;D3;+0:6](-[OH;D1;+0:7])=[S;H0;D1;+0:8] 8096436b5e08800d1c7283ac35d0fd055841f606ca5d135aed3a4c3dc775190f CS(=O)(=O)O[C@@H:5]1[CH2:6][CH2:7][N:8]([c:9]2[n:10][c:11]([C:12]#[N:13])[cH:14][s:15]2)[CH2:16]1.[CH3:1][C:2]([OH:3])=[S:4]>CC#N.[K+]>[CH3:1][C:2](=[O:3])[S:4][C@H:5]1[CH2:6][CH2:7][N:8]([c:9]2[n:10][c:11]([C:12]#[N:13])[cH:14][s:15]2)[CH2:16]1 DUYAAUVXQSMXQP-UHFFFAOYSA-N.VCASVZHHWHXWLC-MRVPVSSYSA-N>>QQQYKQZVTHJBEK-VIFPVBQESA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:8]-[C;H0;D3;+0:6](-[C;D1;H3:5])=[O;H0;D1;+0:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C;D1;H3:5]-[C;H0;D3;+0:6](-[OH;D1;+0:7])=[S;H0;D1;+0:8] 8096436b5e08800d1c7283ac35d0fd055841f606ca5d135aed3a4c3dc775190f CS(=O)(=O)O[C@@H:4]1[CH2:5][CH2:6][N:7]([C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([N+:16](=[O:17])[O-:18])[cH:19][cH:20]2)[CH2:21]1.[N-:1]=[N+:2]=[N-:3]>CN(C)C=O.[Na+]>[N-:1]=[N+:2]=[N:3][C@H:4]1[CH2:5][CH2:6][N:7]([C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([N+:16](=[O:17])[O-:18])[cH:19][cH:20]2)[CH2:21]1 IVRMZWNICZWHMI-UHFFFAOYSA-N.QUZUFECHLQUSBJ-GFCCVEGCSA-N>>XOGPYGKBPZUBJH-JTQLQIEISA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[N;H0;D2;+0:5]=[#7;+:6]=[N;-;D1;H0:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[N-;H0;D1:5]=[#7;+:6]=[N;-;D1;H0:7] cee6527eab5a54306a8d3e1cef9fc6df0aee5943199b78d40e3c41180b7edec1 [CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[c:6]4[c:7]([cH:8][c:9]([O:10][CH2:11][c:12]5[cH:13][cH:14][cH:15][cH:16][cH:17]5)[cH:18][cH:19]4)[CH2:20][CH2:21][C@H:22]3[C@@H:23]1[C@H:24]([C:25]#[N:26])[CH2:27][C:28]2=[O:29]>C1CCOC1.CO.B.[Na+]>[CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[c:6]4[c:7]([cH:8][c:9]([O:10][CH2:11][c:12]5[cH:13][cH:14][cH:15][cH:16][cH:17]5)[cH:18][cH:19]4)[CH2:20][CH2:21][C@H:22]3[C@@H:23]1[C@H:24]([C:25]#[N:26])[CH2:27][C@@H:28]2[OH:29] UFMNHTFZGJVMFI-HLXJBUNDSA-N>>ODSJLGWHYLGGGU-PHFZYIBWSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH2:1]=[CH:2][CH2:3][C@H:4]1[CH2:5][C:6](=[O:7])[C@@:8]2([CH3:9])[CH2:10][CH2:11][C@@H:12]3[c:13]4[c:14]([cH:15][c:16]([O:17][CH2:18][c:19]5[cH:20][cH:21][cH:22][cH:23][cH:24]5)[cH:25][cH:26]4)[CH2:27][CH2:28][C@H:29]3[C@H:30]12>C1CCOC1.O.B.Cl.N.[Na+]>[CH2:1]=[CH:2][CH2:3][C@H:4]1[CH2:5][C@H:6]([OH:7])[C@@:8]2([CH3:9])[CH2:10][CH2:11][C@@H:12]3[c:13]4[c:14]([cH:15][c:16]([O:17][CH2:18][c:19]5[cH:20][cH:21][cH:22][cH:23][cH:24]5)[cH:25][cH:26]4)[CH2:27][CH2:28][C@H:29]3[C@H:30]12 BEJZKOQXSCUVCG-MTXFUISXSA-N>>RWCGYHGLWLZCLX-RJWVBVEPSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([C:8]([F:9])([F:10])[F:11])[cH:12][cH:13]1>CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CO.CSC.Cl.ClCCl>[CH3:1][C@@H:2]([OH:3])[c:4]1[cH:5][cH:6][c:7]([C:8]([F:9])([F:10])[F:11])[cH:12][cH:13]1 HHAISVSEJFEWBZ-UHFFFAOYSA-N>>YMXIDIAEXNLCFT-ZCFIWIBFSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 Br[CH2:5][CH:4]=[C:2]([CH3:1])[CH3:3].[CH2:6]([CH2:7][c:8]1[cH:9][cH:10][c:11]([Cl:12])[cH:13][cH:14]1)[C:15](=[O:16])[N:17]1[C:18](=[O:19])[O:20][C@@H:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[C@H:28]1[CH3:29]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[CH3:1][C:2]([CH3:3])=[CH:4][CH2:5][C@@H:6]([CH2:7][c:8]1[cH:9][cH:10][c:11]([Cl:12])[cH:13][cH:14]1)[C:15](=[O:16])[N:17]1[C:18](=[O:19])[O:20][C@@H:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[C@H:28]1[CH3:29] LOYZVRIHVZEDMW-UHFFFAOYSA-N.RSKUOSIGBZZCAI-FZKQIMNGSA-N>>ZDOJDUNBOXPORZ-PIPMEXSNSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[CH2;D2;+0:1]-[C:2]=[C:3]>>Br-[CH2;D2;+0:1]-[C:2]=[C:3].[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 42181a6356d577596039c200ae5f750211582bc9cf6ade255d2ea9d2dd6ad309 [CH3:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([C:8]([F:9])([F:10])[F:11])[cH:12][cH:13]1>CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CO.CSC.Cl.ClCCl>[CH3:1][C@@H:2]([OH:3])[c:4]1[cH:5][cH:6][c:7]([C:8]([F:9])([F:10])[F:11])[cH:12][cH:13]1 HHAISVSEJFEWBZ-UHFFFAOYSA-N>>YMXIDIAEXNLCFT-ZCFIWIBFSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c Br[CH2:3][CH:2]=[CH2:1].[CH2:4]([CH2:5][CH2:6][CH:7]([CH3:8])[CH3:9])[C:10](=[O:11])[N:12]1[C:13](=[O:14])[O:15][CH2:16][C@H:17]1[CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[CH2:1]=[CH:2][CH2:3][C@H:4]([CH2:5][CH2:6][CH:7]([CH3:8])[CH3:9])[C:10](=[O:11])[N:12]1[C:13](=[O:14])[O:15][CH2:16][C@H:17]1[CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1 BHELZAPQIKSEDF-UHFFFAOYSA-N.RDKRIUSQIDXBJQ-OAHLLOKOSA-N>>LDPHPLWUTBTRMA-QZTJIDSGSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@@H;D3;+0:7](-[C:8])-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3]>>Br-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3].[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 33ab82ef5c99f3e34387d3b6e363f0a79dd4e6af47e65d8e6c0b4cf419209900 [CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][C:7](=[O:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1>B.C1CCOC1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.O=C(O)O.[K+].[K+]>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][C@@H:7]([OH:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1 XVRCVKWYKYJEIG-UHFFFAOYSA-N>>CMSDQUFMNBKXMN-SNVBAGLBSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH2:8].[CH:9](=[CH2:10])[c:12]1[cH:13][c:14]([N:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[cH:21][cH:22][cH:23]1.[OH2:11]>CC(C)(C)OCl.CCCO.CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1nnc(O[C@@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@@H]3CCN2C[C@@H]3CC)c2ccccc12)c1ccnc2ccc(OC)cc12.O.O.O.O=[Os](=O)=O.[K].[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][OH:11])[c:12]1[cH:13][c:14]([N:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[cH:21][cH:22][cH:23]1 LFKDJXLFVYVEFG-UHFFFAOYSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N.YUXVHKUVPSADGQ-UHFFFAOYSA-N>>IIMUMXMHWLKXKC-HNNXBMFYSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C:2](-[C;D1;H3:3])(-[C;D1;H3:4])-[#8:5]-[C:6](=[O;D1;H0:8])-[NH;D2;+0:7]-[C@H;D3;+0:10](-[c:11])-[CH2;D2;+0:9]-[OH;D1;+0:12]>>[C;D1;H3:1]-[C:2](-[C;D1;H3:3])(-[C;D1;H3:4])-[#8:5]-[C:6](-[NH2;D1;+0:7])=[O;D1;H0:8].[CH2;D1;+0:9]=[CH;D2;+0:10]-[c:11].[OH2;D0;+0:12] 21218503391db966623da5924c24cc0d35bfef20d204ea2afe0bf7e296e7bfec [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH2:8].[CH:9](=[CH2:10])[c:12]1[cH:13][c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]2[cH:20][cH:21]1.[OH2:11]>CC(C)(C)OCl.CCCO.CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1nnc(O[C@@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@@H]3CCN2C[C@@H]3CC)c2ccccc12)c1ccnc2ccc(OC)cc12.O.O.O.O=[Os](=O)=O.[K].[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][OH:11])[c:12]1[cH:13][c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]2[cH:20][cH:21]1 KXYAVSFOJVUIHT-UHFFFAOYSA-N.LFKDJXLFVYVEFG-UHFFFAOYSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>FMVNDTVKQQHSNG-HNNXBMFYSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C:2](-[C;D1;H3:3])(-[C;D1;H3:4])-[#8:5]-[C:6](=[O;D1;H0:8])-[NH;D2;+0:7]-[C@H;D3;+0:10](-[c:11])-[CH2;D2;+0:9]-[OH;D1;+0:12]>>[C;D1;H3:1]-[C:2](-[C;D1;H3:3])(-[C;D1;H3:4])-[#8:5]-[C:6](-[NH2;D1;+0:7])=[O;D1;H0:8].[CH2;D1;+0:9]=[CH;D2;+0:10]-[c:11].[OH2;D0;+0:12] 21218503391db966623da5924c24cc0d35bfef20d204ea2afe0bf7e296e7bfec [O:1]=[C:2]([CH2:3][CH2:4][CH2:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][c:11]([F:12])[cH:13][cH:14]1)[N:15]1[C:16](=[O:17])[O:18][CH2:19][CH:20]1[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1>CCCCCCC.C[C@H]1[C@H](B(Cl)[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C.Cc1ccccc1.Cl.[Na+]>[O:1]=[C:2]([CH2:3][CH2:4][CH2:5][C@H:6]([OH:7])[c:8]1[cH:9][cH:10][c:11]([F:12])[cH:13][cH:14]1)[N:15]1[C:16](=[O:17])[O:18][CH2:19][CH:20]1[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1 XXSSRSVXDNUAQX-UHFFFAOYSA-N>>AVAZNWOHQJYCEL-ZVAWYAOSSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[c:6]4[c:7]([cH:8][c:9]([O:10][S:11]([NH2:12])(=[O:13])=[O:14])[cH:15][cH:16]4)[CH2:17][CH2:18][C@H:19]3[C@@H:20]1[CH2:21][CH2:22][C:23]2=[O:24]>CCO.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.B.[Na+]>[CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[c:6]4[c:7]([cH:8][c:9]([O:10][S:11]([NH2:12])(=[O:13])=[O:14])[cH:15][cH:16]4)[CH2:17][CH2:18][C@H:19]3[C@@H:20]1[CH2:21][CH2:22][C@@H:23]2[OH:24] RVKFQAJIXCZXQY-CBZIJGRNSA-N>>YXYXCSOJKUAPJI-ZBRFXRBCSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [O:1]=[c:2]1[nH:3][c:4]2[c:5]([cH:6][c:7]([C:8](=[O:9])[CH2:10][Cl:11])[cH:12][c:13]2[Cl:14])[o:15]1>B.C1CCOC1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12>[O:1]=[c:2]1[nH:3][c:4]2[c:5]([cH:6][c:7]([C@H:8]([OH:9])[CH2:10][Cl:11])[cH:12][c:13]2[Cl:14])[o:15]1 HNQLDOGYHSKNTN-UHFFFAOYSA-N>>DJVGGCMBSOTOSR-ZCFIWIBFSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][N:2]1[CH2:3][CH2:4][c:5]2[cH:6][c:7]([C:8](=[O:9])[CH2:10][Cl:11])[cH:12][c:13]([Cl:14])[c:15]21>B.C1CCOC1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12>[CH3:1][N:2]1[CH2:3][CH2:4][c:5]2[cH:6][c:7]([C@H:8]([OH:9])[CH2:10][Cl:11])[cH:12][c:13]([Cl:14])[c:15]21 SCZJVSVJAILREE-UHFFFAOYSA-N>>RVDCGHYILQGONA-SNVBAGLBSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][c:2]1[n:3][c:4]2[c:5]([cH:6][c:7]([C:8](=[O:9])[CH2:10][Cl:11])[cH:12][c:13]2[Cl:14])[o:15]1>B.C1CCOC1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12>[CH3:1][c:2]1[n:3][c:4]2[c:5]([cH:6][c:7]([C@H:8]([OH:9])[CH2:10][Cl:11])[cH:12][c:13]2[Cl:14])[o:15]1 KXZXJEVYBOPMLC-UHFFFAOYSA-N>>QOSKETZIPGIXHN-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][O:2][c:3]1[c:4]([O:5][CH3:6])[cH:7][c:8]([CH2:9][C:10]([CH3:11])=[O:12])[cH:13][cH:14]1>NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>[CH3:1][O:2][c:3]1[c:4]([O:5][CH3:6])[cH:7][c:8]([CH2:9][C@H:10]([CH3:11])[OH:12])[cH:13][cH:14]1 UMYZWICEDUEWIM-UHFFFAOYSA-N>>KWJDGWGMDAQESJ-QMMMGPOBSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[C;D1;H3:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 Br[C@H:16]1[O:17][C@H:18]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[C@@H:24]([O:25][C:26]([CH3:27])=[O:28])[C@H:29]([O:30][C:31]([CH3:32])=[O:33])[C@H:34]1[O:35][C:36]([CH3:37])=[O:38].[CH3:1][CH2:2][S:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][c:9]2[c:10]([CH3:11])[nH:12][nH:13][c:14]2=[O:15])[cH:39][cH:40]1>C1CCOC1.O=C(O)O.[Ag+2]>[CH3:1][CH2:2][S:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][c:9]2[c:10]([CH3:11])[nH:12][n:13][c:14]2[O:15][C@@H:16]2[O:17][C@H:18]([CH2:19][O:20][C:21]([CH3:22])=[O:23])[C@@H:24]([O:25][C:26]([CH3:27])=[O:28])[C@H:29]([O:30][C:31]([CH3:32])=[O:33])[C@H:34]2[O:35][C:36]([CH3:37])=[O:38])[cH:39][cH:40]1 AWYPGVQMFPKZFH-UHFFFAOYSA-N.CYAYKKUWALRRPA-RGDJUOJXSA-N>>LTLWOOYPAVFHSX-NUPXYHBHSA-N 0.0 Unrecognized False stereospecific False [#8:2]-[C@@H;D3;+0:1](-[O;H0;D2;+0:13]-[c;H0;D3;+0:14]1:[c:15]:[c:16]:[#7;a:17]:[n;H0;D2;+0:18]:1)-[C:3](-[#8:4]-[C:5](-[C;D1;H3:6])=[O;D1;H0:7])-[C:8]-[#8:9]-[C:10](-[C;D1;H3:11])=[O;D1;H0:12]>>Br-[C@@H;D3;+0:1](-[#8:2])-[C:3](-[#8:4]-[C:5](-[C;D1;H3:6])=[O;D1;H0:7])-[C:8]-[#8:9]-[C:10](-[C;D1;H3:11])=[O;D1;H0:12].[O;H0;D1;+0:13]=[c;H0;D3;+0:14]1:[c:15]:[c:16]:[#7;a:17]:[nH;D2;+0:18]:1 82e8dc8a861152172676c3aa652db09ddab1e7f31850ee1c3468880ffefbbcdf [CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[C@H:6]4[CH2:7][CH2:8][C:9](=[O:10])[CH:11]=[C:12]4[CH2:13][CH2:14][C@H:15]3[C@@H:16]1[CH2:17][CH2:18][C@@H:19]2[OH:20]>CCCCCCCC(=O)C(N)(C(=O)CCCCCCC)C(=O)CCCCCCC.ClCCl.O.Cl>[CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[C@H:6]4[CH2:7][CH2:8][C:9](=[O:10])[CH2:11][C@H:12]4[CH2:13][CH2:14][C@H:15]3[C@@H:16]1[CH2:17][CH2:18][C@@H:19]2[OH:20] NPAGDVCDWIYMMC-IZPLOLCNSA-N>>RHVBIEJVJWNXBU-XZVKZCCLSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[CH2;D2;+0:4]-[C:5]=[O;D1;H0:6]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[CH;D2;+0:4]-[C:5]=[O;D1;H0:6] 9182058add2a31e71953c59da91495e91a73b68dc14a14f3396d80a99aae5acd [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH2:8].[CH:9](=[CH2:10])[c:12]1[cH:13][c:14]([N:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[cH:21][cH:22][cH:23]1.[OH2:11]>CC(C)(C)OCl.CCCO.CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1nnc(O[C@@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@@H]3CCN2C[C@@H]3CC)c2ccccc12)c1ccnc2ccc(OC)cc12.O.O.O.O=[Os](=O)=O.[K].[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][OH:11])[c:12]1[cH:13][c:14]([N:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[cH:21][cH:22][cH:23]1 LFKDJXLFVYVEFG-UHFFFAOYSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N.YUXVHKUVPSADGQ-UHFFFAOYSA-N>>IIMUMXMHWLKXKC-HNNXBMFYSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C:2](-[C;D1;H3:3])(-[C;D1;H3:4])-[#8:5]-[C:6](=[O;D1;H0:8])-[NH;D2;+0:7]-[C@@H;D3;+0:10](-[c:11])-[CH2;D2;+0:9]-[OH;D1;+0:12]>>[C;D1;H3:1]-[C:2](-[C;D1;H3:3])(-[C;D1;H3:4])-[#8:5]-[C:6](-[NH2;D1;+0:7])=[O;D1;H0:8].[CH2;D1;+0:9]=[CH;D2;+0:10]-[c:11].[OH2;D0;+0:12] aae5153bef107c08d210289cbf3d876e68a9d42a6363bc1226bee59d8d75d1b7 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH2:8].[CH:9](=[CH2:10])[c:12]1[cH:13][c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]2[cH:20][cH:21]1.[OH2:11]>CC(C)(C)OCl.CCCO.CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1nnc(O[C@@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@@H]3CCN2C[C@@H]3CC)c2ccccc12)c1ccnc2ccc(OC)cc12.O.O.O.O=[Os](=O)=O.[K].[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][OH:11])[c:12]1[cH:13][c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]2[cH:20][cH:21]1 KXYAVSFOJVUIHT-UHFFFAOYSA-N.LFKDJXLFVYVEFG-UHFFFAOYSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>FMVNDTVKQQHSNG-HNNXBMFYSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C:2](-[C;D1;H3:3])(-[C;D1;H3:4])-[#8:5]-[C:6](=[O;D1;H0:8])-[NH;D2;+0:7]-[C@@H;D3;+0:10](-[c:11])-[CH2;D2;+0:9]-[OH;D1;+0:12]>>[C;D1;H3:1]-[C:2](-[C;D1;H3:3])(-[C;D1;H3:4])-[#8:5]-[C:6](-[NH2;D1;+0:7])=[O;D1;H0:8].[CH2;D1;+0:9]=[CH;D2;+0:10]-[c:11].[OH2;D0;+0:12] aae5153bef107c08d210289cbf3d876e68a9d42a6363bc1226bee59d8d75d1b7 [CH3:1][O:2][c:3]1[c:4]([O:5][CH3:6])[cH:7][c:8]([CH2:9][C:10]([CH3:11])=[O:12])[cH:13][cH:14]1>NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>[CH3:1][O:2][c:3]1[c:4]([O:5][CH3:6])[cH:7][c:8]([CH2:9][C@H:10]([CH3:11])[OH:12])[cH:13][cH:14]1 UMYZWICEDUEWIM-UHFFFAOYSA-N>>KWJDGWGMDAQESJ-QMMMGPOBSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[C;D1;H3:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d O=S1(=O)O[C@@H:16]([CH3:17])[CH2:18][N:19]1[C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([Cl:12])[n:13][c:14]2[nH:15]1>CC(C)(C)O.CN(C)C=O.[K+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([Cl:12])[n:13][c:14]2[n:15]1[C@H:16]([CH3:17])[CH2:18][NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26] DLOFYLZHQBTQQA-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>XLDPOPRXFJQXFH-LLVKDONJSA-N 0.0 Unrecognized False stereospecific False [#7;a:12]:[c:13]:[n;H0;D3;+0:14](:[c:15]-[C:16](=[O;D1;H0:17])-[#8:18]-[C:19]-[C;D1;H3:20])-[C@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[#7;a:12]:[c:13]:[nH;D2;+0:14]:[c:15]-[C:16](=[O;D1;H0:17])-[#8:18]-[C:19]-[C;D1;H3:20] c4f853b79463c811fdde746dbd854f490b42ae8814f2c7a08f201b5b155c3faf [CH3:1][C@@H:2]1[CH2:3][N:4]([C:5](=[O:6])[O:7][C:8]([CH3:9])([CH3:10])[CH3:11])[CH2:12][c:13]2[cH:14][c:15]3[cH:16][cH:17][c:18]([Cl:19])[n:20][c:21]3[n:22]21>CC(=O)O.O=C(O)O.BC#N.[Na+].[Na+].[Na+]>[CH3:1][C@@H:2]1[CH2:3][N:4]([C:5](=[O:6])[O:7][C:8]([CH3:9])([CH3:10])[CH3:11])[CH2:12][C@H:13]2[CH2:14][c:15]3[cH:16][cH:17][c:18]([Cl:19])[n:20][c:21]3[N:22]12 SVFNYPVTNBIAIB-SNVBAGLBSA-N>>GTLZENVVCVJOTL-ZYHUDNBSSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@H;D3;+0:3]1-[CH2;D2;+0:4]-[c:5]:[c:6](:[#7;a:7])-[N;H0;D3;+0:8]-1-[C:9]>>[#7:1]-[C:2]-[c;H0;D3;+0:3]1:[cH;D2;+0:4]:[c:5]:[c:6](:[#7;a:7]):[n;H0;D3;+0:8]:1-[C:9] ffca79dddceb4d4df8869f97ba4f6be5c0e2e8c854d3b0bbc52dfa648a9e94b3 O=S1(=O)O[C@@H:16]([CH3:17])[CH2:18][N:19]1[C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([Br:12])[n:13][c:14]2[nH:15]1>CC(C)(C)O.[K+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([Br:12])[n:13][c:14]2[n:15]1[C@H:16]([CH3:17])[CH2:18][NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26] SIACTKRUXDDOQI-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>YRZHEECPPWQRCR-LLVKDONJSA-N 0.0 Unrecognized False stereospecific False [#7;a:12]:[c:13]:[n;H0;D3;+0:14](:[c:15]-[C:16](=[O;D1;H0:17])-[#8:18]-[C:19]-[C;D1;H3:20])-[C@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[#7;a:12]:[c:13]:[nH;D2;+0:14]:[c:15]-[C:16](=[O;D1;H0:17])-[#8:18]-[C:19]-[C;D1;H3:20] c4f853b79463c811fdde746dbd854f490b42ae8814f2c7a08f201b5b155c3faf O=S1(=O)O[C@@H:15]([CH3:16])[CH2:17][N:18]1[C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][cH:11][n:12][c:13]2[nH:14]1>CC(C)(C)O.[K+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][cH:11][n:12][c:13]2[n:14]1[C@H:15]([CH3:16])[CH2:17][NH:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25] CBIVEMGUNRNUEB-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>RDQLATKEIBSZHX-GFCCVEGCSA-N 0.0 Unrecognized False stereospecific False [#7;a:12]:[c:13]:[n;H0;D3;+0:14](:[c:15]-[C:16](=[O;D1;H0:17])-[#8:18]-[C:19]-[C;D1;H3:20])-[C@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[#7;a:12]:[c:13]:[nH;D2;+0:14]:[c:15]-[C:16](=[O;D1;H0:17])-[#8:18]-[C:19]-[C;D1;H3:20] c4f853b79463c811fdde746dbd854f490b42ae8814f2c7a08f201b5b155c3faf CC(=O)O[C@@H:8]1[O:7][CH2:6][C@@H:5]([O:4][C:2]([CH3:1])=[O:3])[C@@H:26]([O:27][C:28]([CH3:29])=[O:30])[C@H:21]1[O:22][C:23]([CH3:24])=[O:25].[nH:9]1[c:10]([Br:11])[n:12][c:13]2[c:14]1[cH:15][c:16]([Cl:17])[c:18]([Cl:19])[cH:20]2>C[Si](C)(C)OS(=O)(=O)C(F)(F)F.ClCCCl.O=C(O)O.[Na+]>[CH3:1][C:2](=[O:3])[O:4][C@@H:5]1[CH2:6][O:7][C@@H:8]([n:9]2[c:10]([Br:11])[n:12][c:13]3[c:14]2[cH:15][c:16]([Cl:17])[c:18]([Cl:19])[cH:20]3)[C@H:21]([O:22][C:23]([CH3:24])=[O:25])[C@@H:26]1[O:27][C:28]([CH3:29])=[O:30] KEZMBKQTCPNSOF-UHFFFAOYSA-N.MJOQJPYNENPSSS-LPWJVIDDSA-N>>IJESABNALPBLAO-QBPKDAKJSA-N 0.0 Unrecognized False stereospecific False [C:6]-[#8:5]-[C:4]1-[C:3]-[#8:2]-[C@@H;D3;+0:1](-[n;H0;D3;+0:19]2:[c:18]:[#7;a:17]:[c:21]:[c:20]:2)-[C:12](-[#8:13]-[C:14](-[C;D1;H3:15])=[O;D1;H0:16])-[C:7]-1-[#8:8]-[C:9](-[C;D1;H3:10])=[O;D1;H0:11]>>C-C(=O)-O-[C@@H;D3;+0:1]1-[#8:2]-[C:3]-[C:4](-[#8:5]-[C:6])-[C:7](-[#8:8]-[C:9](-[C;D1;H3:10])=[O;D1;H0:11])-[C:12]-1-[#8:13]-[C:14](-[C;D1;H3:15])=[O;D1;H0:16].[#7;a:17]1:[c:18]:[nH;D2;+0:19]:[c:20]:[c:21]:1 ea071b2ee3956277028256d002f7dd8755f849b8932f2caf185543aafdf1fc36 Br[Mg][CH3:1].[CH:2]1=[CH:3][C:4]2=[CH:5][C:6](=[O:7])[CH2:8][CH2:9][C@@H:10]2[C@H:11]2[C@@H:12]([F:13])[CH2:14][C@:15]3([CH3:16])[C:17](=[O:18])[CH2:19][CH2:20][C@H:21]3[C@H:22]12>C1CCOC1.CCOCC.CN1CCCN(C)C1=O.C[Si](C)(C)Cl.ClCCl.I[Cu]I.Br.[Li+]>[CH3:1][C@@H:2]1[CH2:3][C:4]2=[CH:5][C:6](=[O:7])[CH2:8][CH2:9][C@@H:10]2[C@H:11]2[C@@H:12]([F:13])[CH2:14][C@:15]3([CH3:16])[C:17](=[O:18])[CH2:19][CH2:20][C@H:21]3[C@H:22]12 AVFUHBJCUUTGCD-UHFFFAOYSA-M.ZAAQJXWJIXWNHV-KPKLZHCVSA-N>>DJWJKLAGKNXLSX-UXBCGYBZSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3](-[CH3;D1;+0:1])-[CH2;D2;+0:4]-[C:5]=[C:6]>>Br-[Mg]-[CH3;D1;+0:1].[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5]=[C:6] 5c1646ad975ac4c160a5576fa1689c08e8d0aaed70b41d75532597563f0f94fd O[C@@H:14]([CH2:13][n:12]1[c:11]2[c:6]3[n:5][c:4]([CH2:3][O:2][CH3:1])[o:21][c:7]3[cH:8][cH:9][c:10]2[cH:20][n:19]1)[CH3:15].[N-:16]=[N+:17]=[N-:18]>C1CCOC1.CCN(CC)CC.CS(=O)(=O)OS(C)(=O)=O.[Na+]>[CH3:1][O:2][CH2:3][c:4]1[n:5][c:6]2[c:7]([cH:8][cH:9][c:10]3[c:11]2[n:12]([CH2:13][C@H:14]([CH3:15])[N:16]=[N+:17]=[N-:18])[n:19][cH:20]3)[o:21]1 IVRMZWNICZWHMI-UHFFFAOYSA-N.JQTAUSXSRVRWGE-MRVPVSSYSA-N>>PTANPGCPJGEZCJ-QMMMGPOBSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a O[C@H:2]([CH3:1])[CH2:3][n:4]1[n:5][cH:6][c:7]2[c:8]1[c:9]1[c:10]([cH:11][cH:12]2)[o:13][c:14]([C:15]([NH2:16])=[O:17])[n:18]1.[N-:19]=[N+:20]=[N-:21]>C1CCOC1.CCN(CC)CC.CS(=O)(=O)OS(C)(=O)=O.[Na+]>[CH3:1][C@@H:2]([CH2:3][n:4]1[n:5][cH:6][c:7]2[c:8]1[c:9]1[c:10]([cH:11][cH:12]2)[o:13][c:14]([C:15]([NH2:16])=[O:17])[n:18]1)[N:19]=[N+:20]=[N-:21] IVRMZWNICZWHMI-UHFFFAOYSA-N.ZCUZXULEEDFXPK-ZCFIWIBFSA-N>>YLEWYYFGBQOTCU-LURJTMIESA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 1718379d2f2837ba6b6abf867978d3ccec21ed7283d5eb2d3cae5b70b58d052a N[C@H:4]([C:2](=[O:1])[OH:3])[CH2:6][CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1.[BrH:5]>O.O=NO.O=S(=O)(O)O.[K+].[Na+]>[O:1]=[C:2]([OH:3])[C@@H:4]([Br:5])[CH2:6][CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1 CPELXLSAUQHCOX-UHFFFAOYSA-N.ORQXBVXKBGUSBA-QMMMGPOBSA-N>>ZNLYQQHXHRSBBY-QMMMGPOBSA-N 0.0 Unrecognized False stereospecific False [Br;H0;D1;+0:6]-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[BrH;D0;+0:6] 725b99ce5395867b212156ab1585cf7caca701dd3055539d65ad5fa62af6db35 N[C@@H:4]([C:2](=[O:1])[OH:3])[CH2:6][CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1.[BrH:5]>O.O=NO.O=S(=O)(O)O.[K+].[Na+]>[O:1]=[C:2]([OH:3])[C@H:4]([Br:5])[CH2:6][CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1 CPELXLSAUQHCOX-UHFFFAOYSA-N.ORQXBVXKBGUSBA-MRVPVSSYSA-N>>ZNLYQQHXHRSBBY-MRVPVSSYSA-N 0.0 Unrecognized False stereospecific False [Br;H0;D1;+0:6]-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[BrH;D0;+0:6] ac8d916db1d5034b837f02d3a0ad72568c1299c3b09dba63fc44391a52faf6f6 [CH3:1][CH2:2][C@@:3]12[CH2:4][C:5](=[O:7])[C@:8]([OH:9])([c:10]3[cH:11][cH:12][cH:13][n:14][cH:15]3)[CH2:16][C@H:17]1[CH2:18][CH2:19][c:20]1[cH:21][c:22]([OH:23])[cH:24][cH:25][c:26]12.[Li][CH3:6]>C1CCOC1.I.[Li+]>[CH3:1][CH2:2][C@@:3]12[CH2:4][C@@:5]([CH3:6])([OH:7])[C@:8]([OH:9])([c:10]3[cH:11][cH:12][cH:13][n:14][cH:15]3)[CH2:16][C@H:17]1[CH2:18][CH2:19][c:20]1[cH:21][c:22]([OH:23])[cH:24][cH:25][c:26]12 AQYKTBHRLFXMOI-IPHXSNPTSA-N.DVSDBMFJEQPWNO-UHFFFAOYSA-N>>KDUBEHWLJHNXHQ-XUFNMVPLSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@;H0;D4;+0:3](-[C:4])(-[CH3;D1;+0:1])-[OH;D1;+0:5]>>[CH3;D1;+0:1]-[Li].[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] dd61216dcddc30a8c086dee747ce8d1398f68d6876f54721d9bc794bb1d5084d Br[CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1].[CH:12](=[O:13])[C@H:14]([CH3:15])[N:16]([CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>C1CCOC1.II>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][C@@H:12]([OH:13])[C@H:14]([CH3:15])[N:16]([CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1 GFYXFRCVQSKSDO-HNNXBMFYSA-N.IKPSIIAXIDAQLG-UHFFFAOYSA-N>>AZEJZDXDKOWICO-LBNVMWSVSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@H;D3;+0:4](-[C:3])-[OH;D1;+0:5]>>Br-[CH2;D2;+0:1]-[C:2].[C:3]-[CH;D2;+0:4]=[O;H0;D1;+0:5] b3516fd4591448f8e666b553640b817bf90f84fdfb7f24062e2d5262e215ec51 Br[CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1].[CH:13](=[O:14])[C@H:15]([CH3:16])[N:17]([CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][C@@H:13]([OH:14])[C@H:15]([CH3:16])[N:17]([CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1 GFYXFRCVQSKSDO-HNNXBMFYSA-N.PBLNBZIONSLZBU-UHFFFAOYSA-N>>BCRUPINZGODLPA-LITSAYRRSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@H;D3;+0:4](-[C:3])-[OH;D1;+0:5]>>Br-[CH2;D2;+0:1]-[C:2].[C:3]-[CH;D2;+0:4]=[O;H0;D1;+0:5] b3516fd4591448f8e666b553640b817bf90f84fdfb7f24062e2d5262e215ec51 Br[CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1].[CH:14](=[O:15])[C@H:16]([CH3:17])[N:18]([CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C@@H:14]([OH:15])[C@H:16]([CH3:17])[N:18]([CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1 BFDNZQUBFCYTIC-UHFFFAOYSA-N.GFYXFRCVQSKSDO-HNNXBMFYSA-N>>ASXLWVNQVNTGME-BHBYDHKZSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@H;D3;+0:4](-[C:3])-[OH;D1;+0:5]>>Br-[CH2;D2;+0:1]-[C:2].[C:3]-[CH;D2;+0:4]=[O;H0;D1;+0:5] b3516fd4591448f8e666b553640b817bf90f84fdfb7f24062e2d5262e215ec51 Br[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1].[CH:15](=[O:16])[C@H:17]([CH3:18])[N:19]([CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][C@@H:15]([OH:16])[C@H:17]([CH3:18])[N:19]([CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1 GFYXFRCVQSKSDO-HNNXBMFYSA-N.KOFZTCSTGIWCQG-UHFFFAOYSA-N>>AMYDWPSWVLJPFG-QCENPCRXSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@H;D3;+0:4](-[C:3])-[OH;D1;+0:5]>>Br-[CH2;D2;+0:1]-[C:2].[C:3]-[CH;D2;+0:4]=[O;H0;D1;+0:5] b3516fd4591448f8e666b553640b817bf90f84fdfb7f24062e2d5262e215ec51 Br[CH2:16][CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1].[CH:17](=[O:18])[C@H:19]([CH3:20])[N:21]([CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][C@@H:17]([OH:18])[C@H:19]([CH3:20])[N:21]([CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1 GFYXFRCVQSKSDO-HNNXBMFYSA-N.HNTGIJLWHDPAFN-UHFFFAOYSA-N>>IYYPBDNIIAOFBP-BZKUTMRRSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@H;D3;+0:4](-[C:3])-[OH;D1;+0:5]>>Br-[CH2;D2;+0:1]-[C:2].[C:3]-[CH;D2;+0:4]=[O;H0;D1;+0:5] b3516fd4591448f8e666b553640b817bf90f84fdfb7f24062e2d5262e215ec51 Br[CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1].[CH:18](=[O:19])[C@H:20]([CH3:21])[N:22]([CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C@@H:18]([OH:19])[C@H:20]([CH3:21])[N:22]([CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1 GFYXFRCVQSKSDO-HNNXBMFYSA-N.HHSDZLLPIXMEIU-UHFFFAOYSA-N>>KUPBLDFJHZXYHN-AFPLUKJUSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@H;D3;+0:4](-[C:3])-[OH;D1;+0:5]>>Br-[CH2;D2;+0:1]-[C:2].[C:3]-[CH;D2;+0:4]=[O;H0;D1;+0:5] b3516fd4591448f8e666b553640b817bf90f84fdfb7f24062e2d5262e215ec51 Br[CH2:18][CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1].[CH:19](=[O:20])[C@H:21]([CH3:22])[N:23]([CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C@@H:19]([OH:20])[C@H:21]([CH3:22])[N:23]([CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1 GFYXFRCVQSKSDO-HNNXBMFYSA-N.WSULSMOGMLRGKU-UHFFFAOYSA-N>>ADEDAWNQSRDQAU-HJIQQCSTSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@H;D3;+0:4](-[C:3])-[OH;D1;+0:5]>>Br-[CH2;D2;+0:1]-[C:2].[C:3]-[CH;D2;+0:4]=[O;H0;D1;+0:5] b3516fd4591448f8e666b553640b817bf90f84fdfb7f24062e2d5262e215ec51 Br[CH2:19][CH2:18][CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1].[CH:20](=[O:21])[C@H:22]([CH3:23])[N:24]([CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[CH2:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C@@H:20]([OH:21])[C@H:22]([CH3:23])[N:24]([CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[CH2:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1 GFYXFRCVQSKSDO-HNNXBMFYSA-N.GWESGLGUMMNXDU-UHFFFAOYSA-N>>CGNUTARTEHVLRP-MSEJLTFDSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@H;D3;+0:4](-[C:3])-[OH;D1;+0:5]>>Br-[CH2;D2;+0:1]-[C:2].[C:3]-[CH;D2;+0:4]=[O;H0;D1;+0:5] b3516fd4591448f8e666b553640b817bf90f84fdfb7f24062e2d5262e215ec51 Br[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1].[CH:15](=[O:16])[C@H:17]([CH2:18][CH3:19])[N:20]([CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][C@@H:15]([OH:16])[C@H:17]([CH2:18][CH3:19])[N:20]([CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1 KOFZTCSTGIWCQG-UHFFFAOYSA-N.QJOKRFSPLJVARG-SFHVURJKSA-N>>HRGLQWXSKJTKIJ-AJQTZOPKSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@H;D3;+0:4](-[C:3])-[OH;D1;+0:5]>>Br-[CH2;D2;+0:1]-[C:2].[C:3]-[CH;D2;+0:4]=[O;H0;D1;+0:5] b3516fd4591448f8e666b553640b817bf90f84fdfb7f24062e2d5262e215ec51 Br[CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1].[CH:16](=[O:17])[C@H:18]([CH2:19][CH3:20])[N:21]([CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C@@H:16]([OH:17])[C@H:18]([CH2:19][CH3:20])[N:21]([CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1 JKOTZBXSNOGCIF-UHFFFAOYSA-N.QJOKRFSPLJVARG-SFHVURJKSA-N>>GOCTYZBUNUKUFQ-JHOUSYSJSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@H;D3;+0:4](-[C:3])-[OH;D1;+0:5]>>Br-[CH2;D2;+0:1]-[C:2].[C:3]-[CH;D2;+0:4]=[O;H0;D1;+0:5] b3516fd4591448f8e666b553640b817bf90f84fdfb7f24062e2d5262e215ec51 Br[CH2:16][CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1].[CH:17](=[O:18])[C@H:19]([CH2:20][CH3:21])[N:22]([CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][C@@H:17]([OH:18])[C@H:19]([CH2:20][CH3:21])[N:22]([CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1 HNTGIJLWHDPAFN-UHFFFAOYSA-N.QJOKRFSPLJVARG-SFHVURJKSA-N>>HLJJMLAPCTXGLG-SZAHLOSFSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@H;D3;+0:4](-[C:3])-[OH;D1;+0:5]>>Br-[CH2;D2;+0:1]-[C:2].[C:3]-[CH;D2;+0:4]=[O;H0;D1;+0:5] b3516fd4591448f8e666b553640b817bf90f84fdfb7f24062e2d5262e215ec51 Br[CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1].[CH:18](=[O:19])[C@H:20]([CH2:21][CH3:22])[N:23]([CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C@@H:18]([OH:19])[C@H:20]([CH2:21][CH3:22])[N:23]([CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1 HHSDZLLPIXMEIU-UHFFFAOYSA-N.QJOKRFSPLJVARG-SFHVURJKSA-N>>NRFLLXAELPLZCW-OIDHKYIRSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@H;D3;+0:4](-[C:3])-[OH;D1;+0:5]>>Br-[CH2;D2;+0:1]-[C:2].[C:3]-[CH;D2;+0:4]=[O;H0;D1;+0:5] b3516fd4591448f8e666b553640b817bf90f84fdfb7f24062e2d5262e215ec51 Br[CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1].[CH:16](=[O:17])[C@H:18]([CH2:19][CH2:20][CH3:21])[N:22]([CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C@@H:16]([OH:17])[C@H:18]([CH2:19][CH2:20][CH3:21])[N:22]([CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1 JKOTZBXSNOGCIF-UHFFFAOYSA-N.XQGBOVZZVRZAPI-IBGZPJMESA-N>>MJRCXRGIFFFXRP-SZAHLOSFSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@H;D3;+0:4](-[C:3])-[OH;D1;+0:5]>>Br-[CH2;D2;+0:1]-[C:2].[C:3]-[CH;D2;+0:4]=[O;H0;D1;+0:5] b3516fd4591448f8e666b553640b817bf90f84fdfb7f24062e2d5262e215ec51 Br[CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1].[CH:16](=[O:17])[C@H:18]([CH:19]([CH3:20])[CH3:21])[N:22]([CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C@@H:16]([OH:17])[C@H:18]([CH:19]([CH3:20])[CH3:21])[N:22]([CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1 DIWXTXXLVBAUFO-LJQANCHMSA-N.JKOTZBXSNOGCIF-UHFFFAOYSA-N>>MXXLHTITYYVJHU-NOCHOARKSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@H;D3;+0:4](-[C:3])-[OH;D1;+0:5]>>Br-[CH2;D2;+0:1]-[C:2].[C:3]-[CH;D2;+0:4]=[O;H0;D1;+0:5] b3516fd4591448f8e666b553640b817bf90f84fdfb7f24062e2d5262e215ec51 Br[CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1].[CH:16](=[O:17])[C@H:18]([C@@H:19]([CH3:20])[CH2:21][CH3:22])[N:23]([CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C@@H:16]([OH:17])[C@H:18]([C@@H:19]([CH3:20])[CH2:21][CH3:22])[N:23]([CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1 CVEDEXBVZHXRAU-FXAWDEMLSA-N.JKOTZBXSNOGCIF-UHFFFAOYSA-N>>LVOOZEPWURRJNZ-MYZAEBQFSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@H;D3;+0:4](-[C:3])-[OH;D1;+0:5]>>Br-[CH2;D2;+0:1]-[C:2].[C:3]-[CH;D2;+0:4]=[O;H0;D1;+0:5] b3516fd4591448f8e666b553640b817bf90f84fdfb7f24062e2d5262e215ec51 Br[CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1].[CH:16](=[O:17])[C@@H:18]([CH3:19])[N:20]([CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C@H:16]([OH:17])[C@@H:18]([CH3:19])[N:20]([CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1 GFYXFRCVQSKSDO-OAHLLOKOSA-N.JKOTZBXSNOGCIF-UHFFFAOYSA-N>>AUGRPIHBMZBMKB-PPTMTGTBSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@@H;D3;+0:4](-[C:3])-[OH;D1;+0:5]>>Br-[CH2;D2;+0:1]-[C:2].[C:3]-[CH;D2;+0:4]=[O;H0;D1;+0:5] 5bf9aa6f809cb28ee6e0828d48d701645c63f6658fc2f6c81805ab3e25984959 Br[CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1].[CH:16](=[O:17])[C@H:18]([CH3:19])[NH:20][C:21](=[O:22])[O:23][CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C@H:16]([OH:17])[C@H:18]([CH3:19])[NH:20][C:21](=[O:22])[O:23][CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1 JKOTZBXSNOGCIF-UHFFFAOYSA-N.XTXJPZGMVKIPHE-VIFPVBQESA-N>>DEUQDTOHXOPYNC-ZCYQVOJMSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@@H;D3;+0:4](-[C:3])-[OH;D1;+0:5]>>Br-[CH2;D2;+0:1]-[C:2].[C:3]-[CH;D2;+0:4]=[O;H0;D1;+0:5] 5bf9aa6f809cb28ee6e0828d48d701645c63f6658fc2f6c81805ab3e25984959 Br[CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1].[CH:16](=[O:17])[C@H:18]([CH2:19][CH3:20])[NH:21][C:22](=[O:23])[O:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C@H:16]([OH:17])[C@H:18]([CH2:19][CH3:20])[NH:21][C:22](=[O:23])[O:24][CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1 FHBZMZYIIZXDGB-NSHDSACASA-N.JKOTZBXSNOGCIF-UHFFFAOYSA-N>>ACAVESYJEZZZBO-UIOOFZCWSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@@H;D3;+0:4](-[C:3])-[OH;D1;+0:5]>>Br-[CH2;D2;+0:1]-[C:2].[C:3]-[CH;D2;+0:4]=[O;H0;D1;+0:5] 5bf9aa6f809cb28ee6e0828d48d701645c63f6658fc2f6c81805ab3e25984959 [CH3:1][O:2][C:3](=[O:4])/[C:5](=[CH:6]/[c:7]1[cH:8][c:9]([Br:10])[c:11]([CH:12]2[CH2:13][C:14](=[O:15])[N:16]([CH2:17][O:18][CH2:19][CH2:20][Si:21]([CH3:22])([CH3:23])[CH3:24])[S:25]2(=[O:26])=[O:27])[cH:28][cH:29]1)[NH:30][C:31](=[O:32])[O:33][CH2:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1>C1=CCCC=CCC1.CCO.COc1ccccc1[P@](CC[P@](c1ccccc1)c1ccccc1OC)c1ccccc1.F[B-](F)(F)F.[Rh]>[CH3:1][O:2][C:3](=[O:4])[C@H:5]([CH2:6][c:7]1[cH:8][c:9]([Br:10])[c:11]([CH:12]2[CH2:13][C:14](=[O:15])[N:16]([CH2:17][O:18][CH2:19][CH2:20][Si:21]([CH3:22])([CH3:23])[CH3:24])[S:25]2(=[O:26])=[O:27])[cH:28][cH:29]1)[NH:30][C:31](=[O:32])[O:33][CH2:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1 FMQBGJAGQSABJD-HAHDFKILSA-N>>DHSNIDVSBMIGQH-UXMRNZNESA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[#7:6]-[C:7](=[O;D1;H0:8])-[#8:9]-[C:10]-[c:11]1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)-[CH2;D2;+0:17]-[c:18]>>[C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])/[C;H0;D3;+0:5](-[#7:6]-[C:7](=[O;D1;H0:8])-[#8:9]-[C:10]-[c:11]1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)=[CH;D2;+0:17]/[c:18] d0528a097f1b5b24028f1e1aa4b97ac345be25f60238782299c8f67ff767c0d7 [CH2:1]=[CH:2]/[CH:3]=[CH:4]\[C@H:5]([CH3:6])[C@H:7]([O:8][CH2:9][c:10]1[cH:11][cH:12][c:13]([O:14][CH3:15])[cH:16][cH:17]1)[C@@H:18]([CH3:19])[CH:20]=[O:21].[CH2:22]([CH3:23])[C:24](=[O:25])[N:26]1[C:27](=[O:28])[O:29][CH2:30][C@H:31]1[CH2:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>CCCCB(CCCC)OS(=O)(=O)C(F)(F)F.CCN(CC)CC.ClCCl>[CH2:1]=[CH:2]/[CH:3]=[CH:4]\[C@H:5]([CH3:6])[C@H:7]([O:8][CH2:9][c:10]1[cH:11][cH:12][c:13]([O:14][CH3:15])[cH:16][cH:17]1)[C@@H:18]([CH3:19])[C@H:20]([OH:21])[C@@H:22]([CH3:23])[C:24](=[O:25])[N:26]1[C:27](=[O:28])[O:29][CH2:30][C@H:31]1[CH2:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1 PQYUSKKNWCTUGS-ZCJNPALESA-N.WHOBYFHKONUTMW-LLVKDONJSA-N>>MAPPKVCJEBINFQ-RYJCFQRCSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2](=[O;D1;H0:3])-[C@H;D3;+0:4](-[C;D1;H3:5])-[C@H;D3;+0:7](-[C:6])-[OH;D1;+0:8]>>[#7:1]-[C:2](=[O;D1;H0:3])-[CH2;D2;+0:4]-[C;D1;H3:5].[C:6]-[CH;D2;+0:7]=[O;H0;D1;+0:8] 202851e7107e88aaf33fb0ef9e104c04fb924fb7d1aad1dd5b4828e055719032 [CH3:1][O:2][C:3](=[O:4])/[C:5](=[CH:6]/[c:7]1[cH:8][c:9]([Br:10])[c:11]([CH:12]2[CH2:13][C:14](=[O:15])[N:16]([CH2:17][O:18][CH2:19][CH2:20][Si:21]([CH3:22])([CH3:23])[CH3:24])[S:25]2(=[O:26])=[O:27])[cH:28][cH:29]1)[NH:30][C:31](=[O:32])[O:33][CH2:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1>C1=CCCC=CCC1.CCO.COc1ccccc1[P@](CC[P@](c1ccccc1)c1ccccc1OC)c1ccccc1.F[B-](F)(F)F.[Rh]>[CH3:1][O:2][C:3](=[O:4])[C@H:5]([CH2:6][c:7]1[cH:8][c:9]([Br:10])[c:11]([CH:12]2[CH2:13][C:14](=[O:15])[N:16]([CH2:17][O:18][CH2:19][CH2:20][Si:21]([CH3:22])([CH3:23])[CH3:24])[S:25]2(=[O:26])=[O:27])[cH:28][cH:29]1)[NH:30][C:31](=[O:32])[O:33][CH2:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1 FMQBGJAGQSABJD-HAHDFKILSA-N>>DHSNIDVSBMIGQH-UXMRNZNESA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[#7:6]-[C:7](=[O;D1;H0:8])-[#8:9]-[C:10]-[c:11]1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)-[CH2;D2;+0:17]-[c:18]>>[C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])/[C;H0;D3;+0:5](-[#7:6]-[C:7](=[O;D1;H0:8])-[#8:9]-[C:10]-[c:11]1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)=[CH;D2;+0:17]/[c:18] ce1b37cde2c7b399d0a65805785278a7eac42c1f316b113baa94dc4034d73493 [CH3:1][C:2](=[O:3])/[CH:4]=[CH:5]/[c:6]1[cH:7][cH:8][c:9]([Br:10])[cH:11][cH:12]1>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1.O>[CH3:1][C@H:2]([OH:3])/[CH:4]=[CH:5]/[c:6]1[cH:7][cH:8][c:9]([Br:10])[cH:11][cH:12]1 ZQNVTVOTCKZKHJ-NSCUHMNNSA-N>>QVAMPRCBAQIQBI-SGJFDWMWSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])/[C:4]=[C:5]/[c:6]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])/[C:4]=[C:5]/[c:6] 2a6d37e8e70e3ae63d2044c611452a7e2069609921f230c421d25cc7008db924 I[CH3:1].[CH2:2]1[CH2:3][C@H:4]2[CH2:5][O:6][C@H:7]([c:8]3[cH:9][cH:10][cH:11][cH:12][cH:13]3)[N:14]2[C:15]1=[O:16]>C1CCOC1.CC(C)NC(C)C.Cl.[Li+].N>[CH3:1][C@H:2]1[CH2:3][C@H:4]2[CH2:5][O:6][C@H:7]([c:8]3[cH:9][cH:10][cH:11][cH:12][cH:13]3)[N:14]2[C:15]1=[O:16] INQOMBQAUSQDDS-UHFFFAOYSA-N.OURKKNDNLSPPQY-CMPLNLGQSA-N>>ASWGWUAIRIPSBF-XHVZSJERSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[C:6])-[CH3;D1;+0:1]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[C:6] 1abceb940cba10f04869aeff5bb4b0519820a1810b071eb0c21b4cc2df4255c1 O=[C:7]1[CH2:6][C@@H:5]([C:3]([O:2][CH3:1])=[O:4])[C@@H:15]([N:16]2[CH2:17][CH2:18][C@H:19]([NH:20][C:21](=[O:22])[O:23][CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[C:31]2=[O:32])[CH2:14][CH2:13]1.[NH2:8][C:9]([CH3:10])([CH3:11])[CH3:12]>CO.CS(C)=O.O=C(O)O.B.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]1[CH2:6][C@H:7]([NH:8][C:9]([CH3:10])([CH3:11])[CH3:12])[CH2:13][CH2:14][C@@H:15]1[N:16]1[CH2:17][CH2:18][C@H:19]([NH:20][C:21](=[O:22])[O:23][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[C:31]1=[O:32] MVVGRHMLUYRSJC-IKGGRYGDSA-N.YBRBMKDOPFTVDT-UHFFFAOYSA-N>>ZILFMSVKBNFGGI-ZRNYENFQSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:1](-[C:3])-[NH;D2;+0:5]-[C:4]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[C:4]-[NH2;D1;+0:5] c2454aeb328665781ecf13b70416538e76f18f1493bca8d1b83cab39de9515bc [O:1]=[C:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[C:9]([F:10])([F:11])[F:12]>CCOC(C)=O.ClC(Cl)Cl.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)O.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=P(O)(O)O.O=P(O)(O)O.[K+].[K+].[K+].[Na+].[Na+]>[OH:1][C@@H:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[C:9]([F:10])([F:11])[F:12] KZJRKRQSDZGHEC-UHFFFAOYSA-N>>VNOMEAQPOMDWSR-ZETCQYMHSA-N 0.0 Unrecognized False reagent controlled False [F;D1;H0:1]-[C:2](-[F;D1;H0:3])(-[F;D1;H0:4])-[C@@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[F;D1;H0:1]-[C:2](-[F;D1;H0:3])(-[F;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] e3115ac00e9946e99d57636218d37722602b399b987a1f74ce78220f89451d99 I[CH3:7].[CH3:1][CH2:2][CH2:3][C@@H:4]([CH3:5])[CH2:6][C:8](=[O:9])[N:10]1[C:11](=[O:12])[O:13][CH2:14][C@H:15]1[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1>C1CCOC1.[Na]>[CH3:1][CH2:2][CH2:3][C@@H:4]([CH3:5])[C@@H:6]([CH3:7])[C:8](=[O:9])[N:10]1[C:11](=[O:12])[O:13][CH2:14][C@H:15]1[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1 INQOMBQAUSQDDS-UHFFFAOYSA-N.NFJIPEWPXRHZIG-OCCSQVGLSA-N>>QAJXLUINMRPRAQ-NFAWXSAZSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[C:6])-[CH3;D1;+0:1]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[C:6] ca1f6858c2397350d90e61899db160ccc8e0bb6d6e21e9a85751a6d6be5df360 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C@H:9]([C:10](=[O:11])[N:12]2[CH2:13][CH2:14][CH2:15][C@H:16]2[C:17]#[N:18])[C@@H:19]2[CH2:20][C:21](=[O:22])[C@H:23]1[CH2:24]2>CO.O=C(O)CC(O)(CC(=O)O)C(=O)O.B.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C@H:9]([C:10](=[O:11])[N:12]2[CH2:13][CH2:14][CH2:15][C@H:16]2[C:17]#[N:18])[C@@H:19]2[CH2:20][C@H:21]([OH:22])[C@H:23]1[CH2:24]2 QDKZJBAERQETJG-FMSGJZPZSA-N>>HYPKHZYANLMKRK-HPCHECBXSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 24a10c55c777a445640c9a082c0e3e06b05e2ae67a251c9c99a2481cce24d018 [O:1]=[C:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[C:9]([F:10])([F:11])[F:12]>CCOC(C)=O.ClC(Cl)Cl.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C(O)O.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=P(O)(O)O.O=P(O)(O)O.[K+].[K+].[K+].[Na+].[Na+]>[OH:1][C@@H:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[C:9]([F:10])([F:11])[F:12] KZJRKRQSDZGHEC-UHFFFAOYSA-N>>VNOMEAQPOMDWSR-ZETCQYMHSA-N 0.0 Unrecognized False reagent controlled True [F;D1;H0:1]-[C:2](-[F;D1;H0:3])(-[F;D1;H0:4])-[C@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[F;D1;H0:1]-[C:2](-[F;D1;H0:3])(-[F;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] d17dd205cc19199172eaeb12b551d63836609b40f7a607c6224f17ce22e070da Br[C@H:15]1[O:16][C@H:17]([CH2:18][O:19][C:20]([CH3:21])=[O:22])[C@@H:23]([O:24][C:25]([CH3:26])=[O:27])[C@H:28]([O:29][C:30]([CH3:31])=[O:32])[C@H:33]1[O:34][C:35]([CH3:36])=[O:37].[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][c:8]2[c:9]([CH3:10])[nH:11][nH:12][c:13]2=[O:14])[cH:38][cH:39]1>C1CCOC1.O=C(O)O.[Ag+2]>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][c:8]2[c:9]([CH3:10])[nH:11][n:12][c:13]2[O:14][C@@H:15]2[O:16][C@H:17]([CH2:18][O:19][C:20]([CH3:21])=[O:22])[C@@H:23]([O:24][C:25]([CH3:26])=[O:27])[C@H:28]([O:29][C:30]([CH3:31])=[O:32])[C@H:33]2[O:34][C:35]([CH3:36])=[O:37])[cH:38][cH:39]1 CYAYKKUWALRRPA-RGDJUOJXSA-N.MYRFDRMQNPPNTJ-UHFFFAOYSA-N>>ORMYSQXOUQPIDT-NUPXYHBHSA-N 0.0 Unrecognized False stereospecific False [#8:2]-[C@@H;D3;+0:1](-[O;H0;D2;+0:13]-[c;H0;D3;+0:14]1:[c:15]:[c:16]:[#7;a:17]:[n;H0;D2;+0:18]:1)-[C:3](-[#8:4]-[C:5](-[C;D1;H3:6])=[O;D1;H0:7])-[C:8]-[#8:9]-[C:10](-[C;D1;H3:11])=[O;D1;H0:12]>>Br-[C@@H;D3;+0:1](-[#8:2])-[C:3](-[#8:4]-[C:5](-[C;D1;H3:6])=[O;D1;H0:7])-[C:8]-[#8:9]-[C:10](-[C;D1;H3:11])=[O;D1;H0:12].[O;H0;D1;+0:13]=[c;H0;D3;+0:14]1:[c:15]:[c:16]:[#7;a:17]:[nH;D2;+0:18]:1 82e8dc8a861152172676c3aa652db09ddab1e7f31850ee1c3468880ffefbbcdf CS(=O)(=O)O[C@@H:14]1[C@@H:9]([NH:8][C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:10][CH2:11][CH2:12][CH2:13]1.[N-:15]=[N+:16]=[N-:17]>CCOCC.CN(C)C=O.O.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@H:9]1[CH2:10][CH2:11][CH2:12][CH2:13][C@H:14]1[N:15]=[N+:16]=[N-:17] AWBOZVRHONOXOE-UWVGGRQHSA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>BYHGOVFTSYQQMW-DTWKUNHWSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 492c430f48d637aab0c971721cb4d8366eed9f75b9bf7a9ee5b238cfd7eb0d61 [CH3:1][C@@H:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([OH:9])[cH:10][cH:11]1)[N:12]1[C:13](=[O:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[C:21]1=[O:22]>CN(C)C=O.[Pd]>[CH3:1][C@@H:2]([C@H:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([OH:9])[cH:10][cH:11]1)[N:12]1[C:13](=[O:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[C:21]1=[O:22] HJFBHHXXCXNUOZ-JTQLQIEISA-N>>DJLHRLBJXGOYCL-BONVTDFDSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH2:7][C:8](=[O:9])[N:10]2[C:11](=[O:12])[O:13][CH2:14][C@@H:15]2[CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:39][cH:40]1.[CH:23](=[O:24])[c:25]1[cH:26][cH:27][c:28]([O:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:37][cH:38]1>CCCC[B+]CCCC.CCN(CC)CC.CO.ClCCl.O=S(=O)(O)C(F)(F)F.OO.Cl.[Na+]>[CH3:1][c:2]1[cH:3][cH:4][c:5]([O:6][C@H:7]([C:8](=[O:9])[N:10]2[C:11](=[O:12])[O:13][CH2:14][C@@H:15]2[CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[C@H:23]([OH:24])[c:25]2[cH:26][cH:27][c:28]([O:29][CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[cH:37][cH:38]2)[cH:39][cH:40]1 GWKVYDDQTATLGR-INIZCTEOSA-N.ZVTWZSXLLMNMQC-UHFFFAOYSA-N>>RFCKKTILKIJNMN-XTHXZNCLSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2](=[O;D1;H0:3])-[C@@H;D3;+0:4](-[#8:5])-[C@H;D3;+0:7](-[OH;D1;+0:6])-[c:8]>>[#7:1]-[C:2](=[O;D1;H0:3])-[CH2;D2;+0:4]-[#8:5].[O;H0;D1;+0:6]=[CH;D2;+0:7]-[c:8] 58d4fe80ba1c7a48ee1ec1c2337629c791732ab635be2fd1317597cb9bb5c92c [CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([O:9][CH2:10][C:11](=[O:12])[N:13]2[C:14](=[O:15])[O:16][CH2:17][C@@H:18]2[CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[cH:42][cH:43]1.[CH:26](=[O:27])[c:28]1[cH:29][cH:30][c:31]([O:32][CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:40][cH:41]1>CCCC[B+]CCCC.CCN(CC)CC.ClCCl.O=S(=O)(O)C(F)(F)F>[CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([O:9][C@H:10]([C:11](=[O:12])[N:13]2[C:14](=[O:15])[O:16][CH2:17][C@@H:18]2[CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[C@H:26]([OH:27])[c:28]2[cH:29][cH:30][c:31]([O:32][CH2:33][c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[cH:40][cH:41]2)[cH:42][cH:43]1 ANHYLBFUXBPDTO-SFHVURJKSA-N.ZVTWZSXLLMNMQC-UHFFFAOYSA-N>>LHXWYQMKMAJKGY-AOTRTPDYSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2](=[O;D1;H0:3])-[C@@H;D3;+0:4](-[#8:5])-[C@H;D3;+0:7](-[OH;D1;+0:6])-[c:8]>>[#7:1]-[C:2](=[O;D1;H0:3])-[CH2;D2;+0:4]-[#8:5].[O;H0;D1;+0:6]=[CH;D2;+0:7]-[c:8] 58d4fe80ba1c7a48ee1ec1c2337629c791732ab635be2fd1317597cb9bb5c92c [CH:25](=[O:26])[c:27]1[cH:28][cH:29][c:30]([O:31][CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][cH:40]1.[O:1]=[C:2]1[O:3][CH2:4][C@H:5]([CH2:6][c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[N:13]1[C:14](=[O:15])[CH2:16][O:17][c:18]1[cH:19][cH:20][c:21]([F:22])[cH:23][cH:24]1>CCCC[B+]CCCC.CCN(CC)CC.ClCCl.O=S(=O)(O)C(F)(F)F>[O:1]=[C:2]1[O:3][CH2:4][C@H:5]([CH2:6][c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[N:13]1[C:14](=[O:15])[C@@H:16]([O:17][c:18]1[cH:19][cH:20][c:21]([F:22])[cH:23][cH:24]1)[C@H:25]([OH:26])[c:27]1[cH:28][cH:29][c:30]([O:31][CH2:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][cH:40]1 NELABVQPBHTWPA-HNNXBMFYSA-N.ZVTWZSXLLMNMQC-UHFFFAOYSA-N>>GNXBUJLNKMULRF-DEIHTGSNSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2](=[O;D1;H0:3])-[C@@H;D3;+0:4](-[#8:5])-[C@H;D3;+0:7](-[OH;D1;+0:6])-[c:8]>>[#7:1]-[C:2](=[O;D1;H0:3])-[CH2;D2;+0:4]-[#8:5].[O;H0;D1;+0:6]=[CH;D2;+0:7]-[c:8] 58d4fe80ba1c7a48ee1ec1c2337629c791732ab635be2fd1317597cb9bb5c92c O=P(c1ccccc1)(c1ccccc1)[N:13]=[N+:14]=[N-:15].O[C@@H:12]1[c:6]2[cH:5][cH:4][c:3]([C:2]#[N:1])[cH:8][c:7]2[O:9][CH2:10][CH2:11]1>C1CCC2=NCCCN2CC1.C1CCOC1.O>[N:1]#[C:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:8]1)[O:9][CH2:10][CH2:11][C@H:12]2[N:13]=[N+:14]=[N-:15] HXFLBROSZRYROJ-VIFPVBQESA-N.MKRTXPORKIRPDG-UHFFFAOYSA-N>>QUGCYDPRJGXOSK-SECBINFHSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].O=P(-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6])(-c1:c:c:c:c:c:1)-c1:c:c:c:c:c:1 ab6024695fd701762ae9e20213f5206f982841807bb21b41ca56b06d668bb63c O[C@@H:14]1[CH2:15][CH2:16][CH2:17][C@H:18]([N:19]2[C:20](=[O:21])[c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]3[C:28]2=[O:29])[CH2:30]1.[CH3:1][CH2:2][S:3][c:4]1[c:5]2[cH:6][n:7][nH:8][c:9]2[cH:10][cH:11][c:12]1[OH:13]>>[CH3:1][CH2:2][S:3][c:4]1[c:5]2[cH:6][n:7][nH:8][c:9]2[cH:10][cH:11][c:12]1[O:13][C@H:14]1[CH2:15][CH2:16][CH2:17][C@H:18]([N:19]2[C:20](=[O:21])[c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]3[C:28]2=[O:29])[CH2:30]1 BDGRCLGWXCVCST-UHFFFAOYSA-N.FBLDVWHNOYBREN-VHSXEESVSA-N>>RTERPTYADGHVLO-GJZGRUSLSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@H;D3;+0:1](-[C:2])-[C:3].[OH;D1;+0:4]-[c:5] 1fb8966dfb48b018f92f0015dcbbb931b65d0347fa8b3dc61ba757db2f947ea3 [CH3:1][O:2][C:3](=[O:4])[N:5]1[CH2:6][C@@H:7]2[CH2:8][CH2:9][C:10](=[O:11])[CH2:12][C@@H:13]2[CH2:14][C@H:15]1[C:16](=[O:17])[OH:18]>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.[Li+]>[CH3:1][O:2][C:3](=[O:4])[N:5]1[CH2:6][C@@H:7]2[CH2:8][CH2:9][C@H:10]([OH:11])[CH2:12][C@@H:13]2[CH2:14][C@H:15]1[C:16](=[O:17])[OH:18] RICCPAMKOBPCLO-XKSSXDPKSA-N>>SARMZTNCZVSBFY-JXUBOQSCSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 O=[CH:19][c:18]1[c:10]([N:9]2[CH2:8][C@@H:5]([CH2:6][CH3:7])[O:4][C@@H:3]([CH2:2][CH3:1])[CH2:29]2)[cH:11][cH:12][c:13]([N+:14](=[O:15])[O-:16])[cH:17]1.[CH2:20]1[C:21](=[O:22])[NH:23][C:24](=[O:25])[NH:26][C:27]1=[O:28]>CO>[CH3:1][CH2:2][C@@H:3]1[O:4][C@H:5]([CH2:6][CH3:7])[CH2:8][N:9]2[c:10]3[cH:11][cH:12][c:13]([N+:14](=[O:15])[O-:16])[cH:17][c:18]3[CH2:19][C:20]3([C:21](=[O:22])[NH:23][C:24](=[O:25])[NH:26][C:27]3=[O:28])[C@@H:29]12 HNYOPLTXPVRDBG-UHFFFAOYSA-N.HQYUCJFUTKEZCK-OKILXGFUSA-N>>FPHJEBUPCOJKKB-VHDGCEQUSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D4;+0:6]1-[C@@H;D3;+0:5]-[N;H0;D3;+0:4]-[c;H0;D3;+0:3]:[c;H0;D3;+0:2]-[CH2;D2;+0:1]-1>>O=[CH;D2;+0:1]-[c;H0;D3;+0:2]:[c;H0;D3;+0:3]-[N;H0;D3;+0:4]-[CH2;D2;+0:5].[CH2;D2;+0:6] 33a55cecae4c9888e9e04f7137c4d1dcf6443273819f6dca14ede68d1a3b30da O=[CH:20][c:19]1[c:11]([N:10]2[CH2:9][C@H:4]([C:5]([F:6])([F:7])[F:8])[O:3][C@H:2]([CH3:1])[CH2:30]2)[cH:12][cH:13][c:14]([N+:15](=[O:16])[O-:17])[cH:18]1.[CH2:21]1[C:22](=[O:23])[NH:24][C:25](=[O:26])[NH:27][C:28]1=[O:29]>CO>[CH3:1][C@H:2]1[O:3][C@@H:4]([C:5]([F:6])([F:7])[F:8])[CH2:9][N:10]2[c:11]3[cH:12][cH:13][c:14]([N+:15](=[O:16])[O-:17])[cH:18][c:19]3[CH2:20][C:21]3([C:22](=[O:23])[NH:24][C:25](=[O:26])[NH:27][C:28]3=[O:29])[C@H:30]12 HNYOPLTXPVRDBG-UHFFFAOYSA-N.WAXQOUJNAFNCNI-PRHODGIISA-N>>CFQGVYHLULDUCM-HFKOZYHYSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D4;+0:6]1-[C@H;D3;+0:5]-[N;H0;D3;+0:4]-[c;H0;D3;+0:3]:[c;H0;D3;+0:2]-[CH2;D2;+0:1]-1>>O=[CH;D2;+0:1]-[c;H0;D3;+0:2]:[c;H0;D3;+0:3]-[N;H0;D3;+0:4]-[CH2;D2;+0:5].[CH2;D2;+0:6] 33a55cecae4c9888e9e04f7137c4d1dcf6443273819f6dca14ede68d1a3b30da O=[CH:14][c:13]1[c:5]([N:4]2[CH2:3][C@H:2]([CH3:1])[O:27][C@@H:25]([CH3:26])[CH2:24]2)[cH:6][cH:7][c:8]([N+:9](=[O:10])[O-:11])[cH:12]1.[CH2:15]1[C:16](=[O:17])[NH:18][C:19](=[O:20])[NH:21][C:22]1=[O:23]>CO>[CH3:1][C@H:2]1[CH2:3][N:4]2[c:5]3[cH:6][cH:7][c:8]([N+:9](=[O:10])[O-:11])[cH:12][c:13]3[CH2:14][C:15]3([C:16](=[O:17])[NH:18][C:19](=[O:20])[NH:21][C:22]3=[O:23])[C@H:24]2[C@H:25]([CH3:26])[O:27]1 HNYOPLTXPVRDBG-UHFFFAOYSA-N.OCLBIWBLVTYKSX-UWVGGRQHSA-N>>DJZPHYIXNUOVJU-MWODSPESSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D4;+0:6]1-[C@@H;D3;+0:5]-[N;H0;D3;+0:4]-[c;H0;D3;+0:3]:[c;H0;D3;+0:2]-[CH2;D2;+0:1]-1>>O=[CH;D2;+0:1]-[c;H0;D3;+0:2]:[c;H0;D3;+0:3]-[N;H0;D3;+0:4]-[CH2;D2;+0:5].[CH2;D2;+0:6] 33a55cecae4c9888e9e04f7137c4d1dcf6443273819f6dca14ede68d1a3b30da O=S1(=O)O[C@@H:19]([CH3:20])[CH2:21][N:22]1[C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][c:10]([O:11][CH2:12][CH3:13])[c:14]([Cl:15])[n:16][c:17]2[nH:18]1>CC(C)(C)O.[K+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][c:10]([O:11][CH2:12][CH3:13])[c:14]([Cl:15])[n:16][c:17]2[n:18]1[C@H:19]([CH3:20])[CH2:21][NH:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29] VXCIWPMVRZQIBP-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>ATQQAUVVIRTMQZ-GFCCVEGCSA-N 0.0 Unrecognized False stereospecific False [#7;a:12]:[c:13]:[n;H0;D3;+0:14](:[c:15]-[C:16](=[O;D1;H0:17])-[#8:18]-[C:19]-[C;D1;H3:20])-[C@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[#7;a:12]:[c:13]:[nH;D2;+0:14]:[c:15]-[C:16](=[O;D1;H0:17])-[#8:18]-[C:19]-[C;D1;H3:20] c4f853b79463c811fdde746dbd854f490b42ae8814f2c7a08f201b5b155c3faf [CH3:1][CH2:2][O:3][c:4]1[c:5]([Cl:6])[n:7][c:8]2[c:9]([cH:10]1)[cH:11][c:12]1[n:25]2[C@H:23]([CH3:24])[CH2:22][N:14]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13]1>CC(=O)O.O=C(O)O.[Na+]>[CH3:1][CH2:2][O:3][c:4]1[c:5]([Cl:6])[n:7][c:8]2[c:9]([cH:10]1)[CH2:11][C@@H:12]1[CH2:13][N:14]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:22][C@@H:23]([CH3:24])[N:25]21 LHWFTZIUGLWEPI-LLVKDONJSA-N>>WMQUOSFOBWPSMN-DGCLKSJQSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@H;D3;+0:3]1-[CH2;D2;+0:4]-[c:5]:[c:6](:[#7;a:7])-[N;H0;D3;+0:8]-1-[C:9]>>[#7:1]-[C:2]-[c;H0;D3;+0:3]1:[cH;D2;+0:4]:[c:5]:[c:6](:[#7;a:7]):[n;H0;D3;+0:8]:1-[C:9] ffca79dddceb4d4df8869f97ba4f6be5c0e2e8c854d3b0bbc52dfa648a9e94b3 O=S1(=O)O[C@@H:17]([CH3:18])[CH2:19][N:20]1[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][c:10]([CH3:11])[c:12]([Cl:13])[n:14][c:15]2[nH:16]1>CC(C)(C)O.CN(C)C=O.[K+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][c:10]([CH3:11])[c:12]([Cl:13])[n:14][c:15]2[n:16]1[C@H:17]([CH3:18])[CH2:19][NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27] ROEKVUNZEMYXBF-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>ZQELHXNDDBUIGS-GFCCVEGCSA-N 0.0 Unrecognized False stereospecific False [#7;a:12]:[c:13]:[n;H0;D3;+0:14](:[c:15]-[C:16](=[O;D1;H0:17])-[#8:18]-[C:19]-[C;D1;H3:20])-[C@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[#7;a:12]:[c:13]:[nH;D2;+0:14]:[c:15]-[C:16](=[O;D1;H0:17])-[#8:18]-[C:19]-[C;D1;H3:20] c4f853b79463c811fdde746dbd854f490b42ae8814f2c7a08f201b5b155c3faf [CH3:1][c:2]1[c:3]([Cl:4])[n:5][c:6]2[c:7]([cH:8]1)[cH:9][c:10]1[n:23]2[C@H:21]([CH3:22])[CH2:20][N:12]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:11]1>CC(=O)O.BC#N.[Na+]>[CH3:1][c:2]1[c:3]([Cl:4])[n:5][c:6]2[c:7]([cH:8]1)[CH2:9][C@@H:10]1[CH2:11][N:12]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:20][C@@H:21]([CH3:22])[N:23]21 IWZRQVWOZRZKFN-LLVKDONJSA-N>>LBRWEIIXKGTPPB-DGCLKSJQSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@H;D3;+0:3]1-[CH2;D2;+0:4]-[c:5]:[c:6](:[#7;a:7])-[N;H0;D3;+0:8]-1-[C:9]>>[#7:1]-[C:2]-[c;H0;D3;+0:3]1:[cH;D2;+0:4]:[c:5]:[c:6](:[#7;a:7]):[n;H0;D3;+0:8]:1-[C:9] ffca79dddceb4d4df8869f97ba4f6be5c0e2e8c854d3b0bbc52dfa648a9e94b3 O=S1(=O)O[C@@H:19]([CH3:20])[CH2:21][N:22]1[C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][c:10]([O:11][CH2:12][CH3:13])[c:14]([Br:15])[n:16][c:17]2[nH:18]1>CC(C)(C)O.[K+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][c:10]([O:11][CH2:12][CH3:13])[c:14]([Br:15])[n:16][c:17]2[n:18]1[C@H:19]([CH3:20])[CH2:21][NH:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29] VCASXICYOLEPCY-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>NOFPSQVYIPOKFS-GFCCVEGCSA-N 0.0 Unrecognized False stereospecific False [#7;a:12]:[c:13]:[n;H0;D3;+0:14](:[c:15]-[C:16](=[O;D1;H0:17])-[#8:18]-[C:19]-[C;D1;H3:20])-[C@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[#7;a:12]:[c:13]:[nH;D2;+0:14]:[c:15]-[C:16](=[O;D1;H0:17])-[#8:18]-[C:19]-[C;D1;H3:20] c4f853b79463c811fdde746dbd854f490b42ae8814f2c7a08f201b5b155c3faf [CH3:1][CH2:2][O:3][c:4]1[c:5]([Br:6])[n:7][c:8]2[c:9]([cH:10]1)[cH:11][c:12]1[n:25]2[C@H:23]([CH3:24])[CH2:22][N:14]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13]1>BC#N.[Na+]>[CH3:1][CH2:2][O:3][c:4]1[c:5]([Br:6])[n:7][c:8]2[c:9]([cH:10]1)[CH2:11][C@@H:12]1[CH2:13][N:14]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:22][C@@H:23]([CH3:24])[N:25]21 CNDKINQVDLIQTA-LLVKDONJSA-N>>OAYITTIHYNQFMC-DGCLKSJQSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@H;D3;+0:3]1-[CH2;D2;+0:4]-[c:5]:[c:6](:[#7;a:7])-[N;H0;D3;+0:8]-1-[C:9]>>[#7:1]-[C:2]-[c;H0;D3;+0:3]1:[cH;D2;+0:4]:[c:5]:[c:6](:[#7;a:7]):[n;H0;D3;+0:8]:1-[C:9] ffca79dddceb4d4df8869f97ba4f6be5c0e2e8c854d3b0bbc52dfa648a9e94b3 [CH3:1][C@@H:2]1[CH2:3][N:4]([C:5](=[O:6])[O:7][C:8]([CH3:9])([CH3:10])[CH3:11])[CH2:12][c:13]2[cH:14][c:15]3[cH:16][cH:17][c:18]([Br:19])[n:20][c:21]3[n:22]21>BC#N.[Na+]>[CH3:1][C@@H:2]1[CH2:3][N:4]([C:5](=[O:6])[O:7][C:8]([CH3:9])([CH3:10])[CH3:11])[CH2:12][C@H:13]2[CH2:14][c:15]3[cH:16][cH:17][c:18]([Br:19])[n:20][c:21]3[N:22]12 NLBLNEVACYHZNE-SNVBAGLBSA-N>>GXZXZZARSCCAGF-ZYHUDNBSSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@H;D3;+0:3]1-[CH2;D2;+0:4]-[c:5]:[c:6](:[#7;a:7])-[N;H0;D3;+0:8]-1-[C:9]>>[#7:1]-[C:2]-[c;H0;D3;+0:3]1:[cH;D2;+0:4]:[c:5]:[c:6](:[#7;a:7]):[n;H0;D3;+0:8]:1-[C:9] ffca79dddceb4d4df8869f97ba4f6be5c0e2e8c854d3b0bbc52dfa648a9e94b3 [CH3:1][C@@H:2]1[CH2:3][N:4]([C:5](=[O:6])[O:7][C:8]([CH3:9])([CH3:10])[CH3:11])[CH2:12][c:13]2[cH:14][c:15]3[cH:16][c:17]([F:18])[cH:19][n:20][c:21]3[n:22]21>CC(=O)O.BC#N.[Na+]>[CH3:1][C@@H:2]1[CH2:3][N:4]([C:5](=[O:6])[O:7][C:8]([CH3:9])([CH3:10])[CH3:11])[CH2:12][C@H:13]2[CH2:14][c:15]3[cH:16][c:17]([F:18])[cH:19][n:20][c:21]3[N:22]12 RFZTVEQBQHJIGI-SNVBAGLBSA-N>>RVVWHHZAFCBEJR-ZWNOBZJWSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@H;D3;+0:3]1-[CH2;D2;+0:4]-[c:5]:[c:6](:[#7;a:7])-[N;H0;D3;+0:8]-1-[C:9]>>[#7:1]-[C:2]-[c;H0;D3;+0:3]1:[cH;D2;+0:4]:[c:5]:[c:6](:[#7;a:7]):[n;H0;D3;+0:8]:1-[C:9] ffca79dddceb4d4df8869f97ba4f6be5c0e2e8c854d3b0bbc52dfa648a9e94b3 [CH3:1][CH2:2][O:3][c:4]1[cH:5][n:6][c:7]2[c:8]([cH:9]1)[cH:10][c:11]1[n:24]2[C@H:22]([CH3:23])[CH2:21][N:13]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12]1>BC#N.[Na+]>[CH3:1][CH2:2][O:3][c:4]1[cH:5][n:6][c:7]2[c:8]([cH:9]1)[CH2:10][C@@H:11]1[CH2:12][N:13]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:21][C@@H:22]([CH3:23])[N:24]21 KOTPHVCSNIMNJC-GFCCVEGCSA-N>>ARCUWRNSHZMUIZ-TZMCWYRMSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@H;D3;+0:3]1-[CH2;D2;+0:4]-[c:5]:[c:6](:[#7;a:7])-[N;H0;D3;+0:8]-1-[C:9]>>[#7:1]-[C:2]-[c;H0;D3;+0:3]1:[cH;D2;+0:4]:[c:5]:[c:6](:[#7;a:7]):[n;H0;D3;+0:8]:1-[C:9] ffca79dddceb4d4df8869f97ba4f6be5c0e2e8c854d3b0bbc52dfa648a9e94b3 [CH3:1][c:2]1[cH:3][n:4][c:5]2[c:6]([cH:7]1)[cH:8][c:9]1[n:22]2[C@H:20]([CH3:21])[CH2:19][N:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:10]1>BC#N.[Na+]>[CH3:1][c:2]1[cH:3][n:4][c:5]2[c:6]([cH:7]1)[CH2:8][C@@H:9]1[CH2:10][N:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:19][C@@H:20]([CH3:21])[N:22]21 UUAURILCPQAVBK-GFCCVEGCSA-N>>KXGOLHZUCYTENM-TZMCWYRMSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@H;D3;+0:3]1-[CH2;D2;+0:4]-[c:5]:[c:6](:[#7;a:7])-[N;H0;D3;+0:8]-1-[C:9]>>[#7:1]-[C:2]-[c;H0;D3;+0:3]1:[cH;D2;+0:4]:[c:5]:[c:6](:[#7;a:7]):[n;H0;D3;+0:8]:1-[C:9] ffca79dddceb4d4df8869f97ba4f6be5c0e2e8c854d3b0bbc52dfa648a9e94b3 [CH3:1][O:2][c:3]1[c:4]([C:5]([CH3:6])=[O:7])[cH:8][cH:9][cH:10][cH:11]1>C1CCOC1.C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)C[C@H]2C[C@@H]1C2(C)C>[CH3:1][O:2][c:3]1[c:4]([C@@H:5]([CH3:6])[OH:7])[cH:8][cH:9][cH:10][cH:11]1 DWPLEOPKBWNPQV-UHFFFAOYSA-N>>DHHGVIOVURMJEA-SSDOTTSWSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH2:1]=[C:2]([CH3:3])[C@@H:4]1[CH2:5][CH2:6][C:7]2=[CH:8][C:9](=[O:10])[CH2:11][C@@H:12]([CH3:13])[C@:14]2([CH3:15])[CH2:16]1>CCOCC.[Al+3].[HH].[HH].[HH].[HH].[Li+]>[CH2:1]=[C:2]([CH3:3])[C@@H:4]1[CH2:5][CH2:6][C:7]2=[CH:8][C@@H:9]([OH:10])[CH2:11][C@@H:12]([CH3:13])[C@:14]2([CH3:15])[CH2:16]1 WTOYNNBCKUYIKC-JMSVASOKSA-N>>GFNWRKNVTHDNPV-UXOAXIEHSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]=[C:5]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]=[C:5] 30b58d787d9916ad48be3323fde35e4d1c60b573ffde717577d2f36c035f619a [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][C:9](=[O:10])[CH2:11][C@H:12]([OH:13])[CH2:14][C:15]#[N:16]>C1CCOC1.CO.B.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][C@H:9]([OH:10])[CH2:11][C@H:12]([OH:13])[CH2:14][C:15]#[N:16] CCQZKUWBWPJBPY-MRVPVSSYSA-N>>NQTYMGFSEOSJKM-RKDXNWHRSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11] 0afd88cd782eb1bee9f12e6fbe748f36472b2ceb528af5741a258a3549fccbe3 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][C:9](=[O:10])[CH2:11][C@H:12]([OH:13])[CH2:14][O:15][Si:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[C:29]([CH3:30])([CH3:31])[CH3:32]>C1CCOC1.CO.B.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][C@H:9]([OH:10])[CH2:11][C@H:12]([OH:13])[CH2:14][O:15][Si:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[C:29]([CH3:30])([CH3:31])[CH3:32] JNUVGMFPDXXYFF-NRFANRHFSA-N>>DTVOWHAKZZHNDY-RTWAWAEBSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11] 0afd88cd782eb1bee9f12e6fbe748f36472b2ceb528af5741a258a3549fccbe3 [O:1]=[C:2]1[CH2:3][C@H:4]2[CH2:5][C@@H:6]1[CH2:7][C:8]2([F:9])[F:10]>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.OO.[Li+].[Na+].O>[OH:1][C@@H:2]1[CH2:3][C@H:4]2[CH2:5][C@@H:6]1[CH2:7][C:8]2([F:9])[F:10] VTTCLFDTPTVOED-RFZPGFLSSA-N>>MXWBAAFCUCTYCO-HSUXUTPPSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 O[C@@H:12]1[CH2:13][C@H:14]2[CH2:15][C@@H:16]1[CH2:17][C:18]2([F:19])[F:20].[O:1]=[C:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[C:9](=[O:10])[NH:11]1>C1CCOC1.CCOC(=O)N=NC(=O)OCC.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[O:1]=[C:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[C:9](=[O:10])[N:11]1[C@H:12]1[CH2:13][C@H:14]2[CH2:15][C@@H:16]1[CH2:17][C:18]2([F:19])[F:20] MXWBAAFCUCTYCO-HSUXUTPPSA-N.XKJCHHZQLQNZHY-UHFFFAOYSA-N>>MMHNEOJNMWNBCQ-LNLATYFQSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3])-[N;H0;D3;+0:6]1-[C:7](=[O;D1;H0:8])-[c:9]2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2-[C:5]-1=[O;D1;H0:4]>>O-[C@H;D3;+0:1](-[C:2])-[C:3].[O;D1;H0:4]=[C:5]1-[NH;D2;+0:6]-[C:7](=[O;D1;H0:8])-[c:9]2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2-1 3e5f201ae0ac5c8babd87c44ebeaeccc61d4003f67f56ea4bd48b0851de576aa O=S1(=O)O[C@@H:19]([CH3:20])[CH2:21][N:22]1[C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([C:12]([F:13])([F:14])[F:15])[cH:16][c:17]2[nH:18]1>CN(C)C=O.[HH].[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]([C:12]([F:13])([F:14])[F:15])[cH:16][c:17]2[n:18]1[C@H:19]([CH3:20])[CH2:21][NH:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29] MIBFONNBTQRYGN-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>DDHIPOBBFWQWGF-GFCCVEGCSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:12]-[C:13]-[#8:14]-[C:15](=[O;D1;H0:16])-[c:17]:[n;H0;D3;+0:18](:[c:19])-[C@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[C;D1;H3:12]-[C:13]-[#8:14]-[C:15](=[O;D1;H0:16])-[c:17]:[nH;D2;+0:18]:[c:19] ba1d9fbd1693f2ed34667b47ba2f4e68adb021700718e638376e0ac889fb782b [CH3:1][O:2][c:3]1[c:4]([C:5]([CH3:6])=[O:7])[cH:8][cH:9][cH:10][cH:11]1>C1CCOC1.C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)C[C@H]2C[C@@H]1C2(C)C>[CH3:1][O:2][c:3]1[c:4]([C@@H:5]([CH3:6])[OH:7])[cH:8][cH:9][cH:10][cH:11]1 DWPLEOPKBWNPQV-UHFFFAOYSA-N>>DHHGVIOVURMJEA-SSDOTTSWSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c O=S1(=O)O[C@@H:17]([CH3:18])[CH2:19][N:20]1[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:9]([CH3:10])[cH:11][cH:12][c:13]([F:14])[c:15]2[nH:16]1>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:9]([CH3:10])[cH:11][cH:12][c:13]([F:14])[c:15]2[n:16]1[C@H:17]([CH3:18])[CH2:19][NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27] ABBOXOMUELWNEB-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>IBPOGSPFWFEXSK-CYBMUJFWSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11])-[n;H0;D3;+0:18](:[c:19]):[c:17]-[C:15](=[O;D1;H0:16])-[#8:14]-[C:13]-[C;D1;H3:12]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[C;D1;H3:12]-[C:13]-[#8:14]-[C:15](=[O;D1;H0:16])-[c:17]:[nH;D2;+0:18]:[c:19] ba1d9fbd1693f2ed34667b47ba2f4e68adb021700718e638376e0ac889fb782b [CH3:1][C@@H:2]1[CH2:3][C:4]2=[CH:5][C:6](=[O:7])[CH2:8][CH2:9][C@@H:10]2[C@H:11]2[C@@H:12]([F:13])[CH2:14][C@:15]3([CH3:16])[C:17](=[O:18])[CH2:19][CH2:20][C@H:21]3[C@H:22]12>C1CCOC1.O=S(=O)(O)O>[CH3:1][C@@H:2]1[CH2:3][C:4]2=[CH:5][C:6](=[O:7])[CH2:8][CH2:9][C@@H:10]2[C@H:11]2[C@@H:12]([F:13])[CH2:14][C@:15]3([CH3:16])[C@@H:17]([OH:18])[CH2:19][CH2:20][C@H:21]3[C@H:22]12 DJWJKLAGKNXLSX-UXBCGYBZSA-N>>GJQFYXSMVLVBOO-ULCNRYSNSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d N[C@@H:5]([C:2]([CH3:1])([CH3:3])[CH3:4])[C:7](=[O:8])[OH:9].[OH2:6]>O=NO.O=S(=O)(O)O.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[C@H:5]([OH:6])[C:7](=[O:8])[OH:9] NPDBDJFLKKQMCM-SCSAIBSYSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>FWVNWTNCNWRCOU-SCSAIBSYSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[OH;D1;+0:6])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[OH2;D0;+0:6] 3b2930445911a30f6eef1993b611280cb26ac438bc2995944b0d46cd68ec10e9 N[C@H:4]([C:2](=[O:1])[OH:3])[CH2:6][c:7]1[cH:8][c:9]([F:10])[cH:11][c:12]([F:13])[cH:14]1.[OH2:5]>O=NO.O=S(=O)(O)O.[Na+]>[O:1]=[C:2]([OH:3])[C@@H:4]([OH:5])[CH2:6][c:7]1[cH:8][c:9]([F:10])[cH:11][c:12]([F:13])[cH:14]1 QFGMPXZFCIHYIR-QMMMGPOBSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>GAHIXFDXRSKATP-QMMMGPOBSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[OH;D1;+0:6])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[OH2;D0;+0:6] 3b2930445911a30f6eef1993b611280cb26ac438bc2995944b0d46cd68ec10e9 Br[Mg][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[CH3:1][C@H:2]1[C@@H:3]([c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9]2)[N:10]([C:11](=[O:12])/[CH:13]=[CH:14]/[c:21]2[cH:22][cH:23][c:24]([S:25]([CH3:26])(=[O:27])=[O:28])[cH:29][cH:30]2)[C:31](=[O:32])[N:33]1[CH3:34]>C1CCOC1.CCCC[B+]CCCC.CN(C)CCN(C)C.O=S(=O)(O)C(F)(F)F.[Cu]I>[CH3:1][C@H:2]1[C@@H:3]([c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9]2)[N:10]([C:11](=[O:12])[CH2:13][C@@H:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][c:24]([S:25]([CH3:26])(=[O:27])=[O:28])[cH:29][cH:30]2)[C:31](=[O:32])[N:33]1[CH3:34] ANRQGKOBLBYXFM-UHFFFAOYSA-M.WHYBNBWHBFQQDW-WKCQWVKWSA-N>>YGOOCADRTXFRTJ-YLORPAJWSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C@@H;D3;+0:8](-[c:9])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>Br-[Mg]-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7:4]-[C:5](=[O;D1;H0:6])/[CH;D2;+0:7]=[CH;D2;+0:8]/[c:9] 60c054effc49b32d9c28785ecfbaa15579bd87fda419b117b8f0cd6720239d99 I[CH3:1].[CH2:2]([CH2:3][C:4]([F:5])([F:6])[F:7])[C:8](=[O:9])[N:10]1[C:11](=[O:12])[O:13][CH2:14][C@H:15]1[CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[CH3:1][C@H:2]([CH2:3][C:4]([F:5])([F:6])[F:7])[C:8](=[O:9])[N:10]1[C:11](=[O:12])[O:13][CH2:14][C@H:15]1[CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1 INQOMBQAUSQDDS-UHFFFAOYSA-N.XPGZSCXWDAPVIM-LLVKDONJSA-N>>NVZAYGFXUPFBHE-ZYHUDNBSSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[C:6])-[CH3;D1;+0:1]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[C:6] ca1f6858c2397350d90e61899db160ccc8e0bb6d6e21e9a85751a6d6be5df360 CC(C)c1cc(C(C)C)c(S(=O)(=O)[N:9]=[N+:10]=[N-:11])c(C(C)C)c1.[CH3:1][C@H:2]([CH2:3][C:4]([F:5])([F:6])[F:7])[CH2:8][C:12](=[O:13])[N:14]1[C:15](=[O:16])[O:17][CH2:18][C@@H:19]1[CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1>C1CCOC1.CC(=O)O.CC(=O)O.CCOC(C)=O.C[Si](C)(C)N[Si](C)(C)C.[K+].[K+]>[CH3:1][C@H:2]([CH2:3][C:4]([F:5])([F:6])[F:7])[C@H:8]([N:9]=[N+:10]=[N-:11])[C:12](=[O:13])[N:14]1[C:15](=[O:16])[O:17][CH2:18][C@@H:19]1[CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1 AEMWUHCKKDPRSK-UHFFFAOYSA-N.SXYVNBDIBQDPAU-AAEUAGOBSA-N>>ZOBCLGDKSYHOFZ-WXHSDQCUSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]>>C-C(-C)-c1:c:c(-C(-C)-C):c(-S(=O)(=O)-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]):c(-C(-C)-C):c:1.[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 5d62210582e8509f7297b5a975afcc5b3dde53629231d99da0265d38e21e8265 CC(C)c1cc(C(C)C)c(S(=O)(=O)[N:11]=[N+:12]=[N-:13])c(C(C)C)c1.[CH3:1][C@@H:2]([c:3]1[cH:4][cH:5][c:6]([F:7])[cH:8][cH:9]1)[CH2:10][C:14](=[O:15])[N:16]1[C:17](=[O:18])[O:19][CH2:20][C@@H:21]1[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1>C1CCOC1.CC(=O)O.CC(=O)O.C[Si](C)(C)N[Si](C)(C)C.[K+].[K+]>[CH3:1][C@@H:2]([c:3]1[cH:4][cH:5][c:6]([F:7])[cH:8][cH:9]1)[C@H:10]([N:11]=[N+:12]=[N-:13])[C:14](=[O:15])[N:16]1[C:17](=[O:18])[O:19][CH2:20][C@@H:21]1[c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1 AEMWUHCKKDPRSK-UHFFFAOYSA-N.XKMIADGJGQKJDZ-CXAGYDPISA-N>>QYMPJVZAQCBGRM-VUCTXSBTSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]>>C-C(-C)-c1:c:c(-C(-C)-C):c(-S(=O)(=O)-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]):c(-C(-C)-C):c:1.[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 5d62210582e8509f7297b5a975afcc5b3dde53629231d99da0265d38e21e8265 [CH3:1][C:2](=[O:3])[N:4]1[c:5]2[c:6]([cH:7][cH:8][n:9]3[c:10]2[n:11][c:12]([CH3:13])[c:14]3[CH3:15])[C:16](=[O:17])[C@H:18]([OH:19])[C@H:20]1[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1>CO.B.[Na+]>[CH3:1][C:2](=[O:3])[N:4]1[c:5]2[c:6]([cH:7][cH:8][n:9]3[c:10]2[n:11][c:12]([CH3:13])[c:14]3[CH3:15])[C@@H:16]([OH:17])[C@H:18]([OH:19])[C@H:20]1[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1 YVAXASDVBUASNO-VQIMIIECSA-N>>HOHOWXGICHTWMP-BHIYHBOVSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c CS(=O)(=O)[Cl:15].O[CH2:16][C@@H:14]1[N:10]([CH2:9][CH2:8][c:7]2[cH:6][cH:5][c:4]([N:2]([CH3:1])[CH3:3])[cH:18][cH:17]2)[CH2:11][CH2:12][CH2:13]1>CCN(C(C)C)C(C)C.ClCCl.O=C(O)O.[Na+]>[CH3:1][N:2]([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][CH2:9][N:10]2[CH2:11][CH2:12][CH2:13][C@@H:14]([Cl:15])[CH2:16]2)[cH:17][cH:18]1 CYODRDNKVZQRNO-OAHLLOKOSA-N.QARBMVPHQWIHKH-UHFFFAOYSA-N>>OUTXQKXTSQQMJU-CQSZACIVSA-N 0.0 Unrecognized False stereospecific False [C:6]-[N;H0;D3;+0:5](-[C:7])-[CH2;D2;+0:2]-[C@@H;D3;+0:3](-[C:4])-[Cl;H0;D1;+0:1]>>C-S(=O)(=O)-[Cl;H0;D1;+0:1].O-[CH2;D2;+0:2]-[C@@H;D3;+0:3](-[C:4])-[N;H0;D3;+0:5](-[C:6])-[C:7] e454cc07ec26e0f38ebd81acd400615d8fb30307d9c63b09f15bc31b8241d693 ClC[Cl:1].O[CH2:20][C@H:2]1[CH2:3][CH2:4][CH2:5][N:6]1[CH2:7][CH2:8][c:9]1[cH:10][cH:11][c:12]([N:13]2[CH2:14][CH2:15][CH2:16][CH2:17]2)[cH:18][cH:19]1>CCN(C(C)C)C(C)C.CS(=O)(=O)Cl.O=C(O)O.[Na+]>[Cl:1][C@@H:2]1[CH2:3][CH2:4][CH2:5][N:6]([CH2:7][CH2:8][c:9]2[cH:10][cH:11][c:12]([N:13]3[CH2:14][CH2:15][CH2:16][CH2:17]3)[cH:18][cH:19]2)[CH2:20]1 UNHWYDHHQSUOHK-QGZVFWFLSA-N.YMWUJEATGCHHMB-UHFFFAOYSA-N>>ACPOUJQEMTWYEX-MRXNPFEDSA-N 0.0 Unrecognized False stereospecific False [C:4]-[C@@H;D3;+0:3](-[Cl;H0;D1;+0:1])-[CH2;D2;+0:2]-[N;H0;D3;+0:5](-[C:6])-[C:7]>>Cl-C-[Cl;H0;D1;+0:1].O-[CH2;D2;+0:2]-[C@@H;D3;+0:3](-[C:4])-[N;H0;D3;+0:5](-[C:6])-[C:7] 486dc7839d2ef91275fd8a1b28975f589c90b3ff067959ebfef5e74a40db08cb [O:1]=[C:2]([CH2:3][CH2:4][CH2:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][c:11]([F:12])[cH:13][cH:14]1)[N:15]1[C:16](=[O:17])[O:18][CH2:19][C@@H:20]1[CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1>CB1OC(c2ccccc2)(c2ccccc2)C2CCCN12.Cc1ccccc1.ClCCl>[O:1]=[C:2]([CH2:3][CH2:4][CH2:5][C@H:6]([OH:7])[c:8]1[cH:9][cH:10][c:11]([F:12])[cH:13][cH:14]1)[N:15]1[C:16](=[O:17])[O:18][CH2:19][C@@H:20]1[CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1 BMEMZSFBFGAIFO-SFHVURJKSA-N>>HHUXYEQQINYZFS-OALUTQOASA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c I[CH3:25].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][CH2:9][C@H:10]([CH3:11])[C@H:12]([O:13][Si:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[CH3:20])[C@@H:21]([CH3:22])[CH2:23][CH2:24][C:26](=[O:27])[N:28]2[C:29](=[O:30])[O:31][CH2:32][C@H:33]2[CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:41][cH:42]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][CH2:9][C@H:10]([CH3:11])[C@H:12]([O:13][Si:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[CH3:20])[C@@H:21]([CH3:22])[CH2:23][C@@H:24]([CH3:25])[C:26](=[O:27])[N:28]2[C:29](=[O:30])[O:31][CH2:32][C@H:33]2[CH2:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:41][cH:42]1 INQOMBQAUSQDDS-UHFFFAOYSA-N.WXDSQYLISYHONW-SJVQGLCSSA-N>>ZYCHFPONKLNGHC-PJTXBUSSSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[C:6])-[CH3;D1;+0:1]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[C:6] ca1f6858c2397350d90e61899db160ccc8e0bb6d6e21e9a85751a6d6be5df360 [CH3:1][C:2](=[O:3])[c:4]1[n:5][cH:6][c:7]2[o:8][cH:9][cH:10][c:11]2[cH:12]1>O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na+].O>[CH3:1][C@@H:2]([OH:3])[c:4]1[n:5][cH:6][c:7]2[o:8][cH:9][cH:10][c:11]2[cH:12]1 HKOXPERDUASDCQ-UHFFFAOYSA-N>>IZFJZDCDTSRECN-ZCFIWIBFSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]-[C@@H;D3;+0:3](-[C;D1;H3:4])-[OH;D1;+0:5]>>[#7;a:1]:[c:2]-[C;H0;D3;+0:3](-[C;D1;H3:4])=[O;H0;D1;+0:5] 4672cc10e7f17fd78b474dab59cad4434e7eecbb4579adc8c4c1468d077e6b1e [CH3:1][CH2:2][CH2:3][CH2:4][C:5](=[O:6])[c:7]1[n:8][c:9]([Br:10])[cH:11][cH:12][cH:13]1>B.C1CCOC1.COB(OC)OC.CSC.OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1>[CH3:1][CH2:2][CH2:3][CH2:4][C@@H:5]([OH:6])[c:7]1[n:8][c:9]([Br:10])[cH:11][cH:12][cH:13]1 VZJDAUINBILGLO-UHFFFAOYSA-N>>LJPUXOINGMLDOC-SECBINFHSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#7;a:1]:[c:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 4672cc10e7f17fd78b474dab59cad4434e7eecbb4579adc8c4c1468d077e6b1e Br[C@H:6]([CH3:7])[C:8](=[O:9])[N:10]1[C@H:11]([C:12](=[O:13])[O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22][C@@H:23]2[CH2:24][CH2:25][CH2:26][CH2:27][C@H:28]12.[CH3:1][CH2:2][CH2:3][C@H:4]([NH2:5])[C:29](=[O:30])[O:31][CH2:32][CH3:33]>CC#N.CCN(CC)CC>[CH3:1][CH2:2][CH2:3][C@H:4]([NH:5][C@@H:6]([CH3:7])[C:8](=[O:9])[N:10]1[C@H:11]([C:12](=[O:13])[O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22][C@@H:23]2[CH2:24][CH2:25][CH2:26][CH2:27][C@H:28]12)[C:29](=[O:30])[O:31][CH2:32][CH3:33] DPBOUPADTRCCIH-LURJTMIESA-N.LQUMWUGAQAHVAU-IWCQGFGOSA-N>>ZNAYHAPFFQRGES-SVXFZJLFSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3](=[O;D1;H0:5])-[C@H;D3;+0:1](-[C;D1;H3:2])-[NH;D2;+0:12]-[C:11]-[C:9](=[O;D1;H0:10])-[#8:8]-[C:7]-[C;D1;H3:6]>>Br-[C@H;D3;+0:1](-[C;D1;H3:2])-[C:3](-[#7:4])=[O;D1;H0:5].[C;D1;H3:6]-[C:7]-[#8:8]-[C:9](=[O;D1;H0:10])-[C:11]-[NH2;D1;+0:12] bbc44fb786adde4a72cc9f2c73b90a06a415cdc7dfbf8d149a014b1e1ab16b61 [CH3:1][C:2](=[O:3])[c:4]1[n:5][cH:6][c:7]2[o:8][cH:9][cH:10][c:11]2[cH:12]1>O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na+].O>[CH3:1][C@@H:2]([OH:3])[c:4]1[n:5][cH:6][c:7]2[o:8][cH:9][cH:10][c:11]2[cH:12]1 HKOXPERDUASDCQ-UHFFFAOYSA-N>>IZFJZDCDTSRECN-ZCFIWIBFSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]-[C@H;D3;+0:3](-[C;D1;H3:4])-[OH;D1;+0:5]>>[#7;a:1]:[c:2]-[C;H0;D3;+0:3](-[C;D1;H3:4])=[O;H0;D1;+0:5] 439910f0ec84fc11a36d00d5e6a4edbc841ea487b63c909aa068c82b3ec914b0 [CH3:1][CH2:2][CH2:3][CH2:4][C:5](=[O:6])[c:7]1[n:8][c:9]([Br:10])[cH:11][cH:12][cH:13]1>B.C1CCOC1.COB(OC)OC.CSC.OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1>[CH3:1][CH2:2][CH2:3][CH2:4][C@@H:5]([OH:6])[c:7]1[n:8][c:9]([Br:10])[cH:11][cH:12][cH:13]1 VZJDAUINBILGLO-UHFFFAOYSA-N>>LJPUXOINGMLDOC-SECBINFHSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#7;a:1]:[c:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 439910f0ec84fc11a36d00d5e6a4edbc841ea487b63c909aa068c82b3ec914b0 Br[C@H:6]([CH3:7])[C:8](=[O:9])[N:10]1[C@H:11]([C:12](=[O:13])[OH:14])[CH2:15][C@@H:16]2[CH2:17][CH2:18][CH2:19][CH2:20][C@H:21]12.[CH3:1][CH2:2][CH2:3][C@H:4]([NH2:5])[C:22](=[O:23])[O:24][CH2:25][CH3:26]>CC#N.CCN(CC)CC.ClCCl>[CH3:1][CH2:2][CH2:3][C@H:4]([NH:5][C@@H:6]([CH3:7])[C:8](=[O:9])[N:10]1[C@H:11]([C:12](=[O:13])[OH:14])[CH2:15][C@@H:16]2[CH2:17][CH2:18][CH2:19][CH2:20][C@H:21]12)[C:22](=[O:23])[O:24][CH2:25][CH3:26] DPBOUPADTRCCIH-LURJTMIESA-N.UVLXMDYBUMQLGA-KATARQTJSA-N>>IPVQLZZIHOAWMC-QXKUPLGCSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3](=[O;D1;H0:5])-[C@H;D3;+0:1](-[C;D1;H3:2])-[NH;D2;+0:12]-[C:11]-[C:9](=[O;D1;H0:10])-[#8:8]-[C:7]-[C;D1;H3:6]>>Br-[C@H;D3;+0:1](-[C;D1;H3:2])-[C:3](-[#7:4])=[O;D1;H0:5].[C;D1;H3:6]-[C:7]-[#8:8]-[C:9](=[O;D1;H0:10])-[C:11]-[NH2;D1;+0:12] bbc44fb786adde4a72cc9f2c73b90a06a415cdc7dfbf8d149a014b1e1ab16b61 [CH3:1][C@@H:2]1[CH2:3][C:4]2=[CH:5][C:6](=[O:7])[CH2:8][CH2:9][C@@H:10]2[C@H:11]2[C@@H:12]([Cl:13])[CH2:14][C@:15]3([CH3:16])[C:17](=[O:18])[CH2:19][CH2:20][C@H:21]3[C@H:22]12>C1CCOC1.CCO.O.B.[Na+]>[CH3:1][C@@H:2]1[CH2:3][C:4]2=[CH:5][C:6](=[O:7])[CH2:8][CH2:9][C@@H:10]2[C@H:11]2[C@@H:12]([Cl:13])[CH2:14][C@:15]3([CH3:16])[C@@H:17]([OH:18])[CH2:19][CH2:20][C@H:21]3[C@H:22]12 DJXVLMJXGVSVRL-UXBCGYBZSA-N>>QCPUQFPRSOQBHZ-ULCNRYSNSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d O[C@H:14]1[CH2:15][N:16]2[CH2:17][CH2:18][CH:19]1[CH2:20][CH2:21]2.[O:1]=[C:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2-[c:9]2[c:10]1[cH:11][c:12]([OH:13])[cH:22][cH:23]2>C1CCOC1.CCOC(=O)/N=N/C(=O)OCC.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[O:1]=[C:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2-[c:9]2[c:10]1[cH:11][c:12]([O:13][C@@H:14]1[CH2:15][N:16]3[CH2:17][CH2:18][CH:19]1[CH2:20][CH2:21]3)[cH:22][cH:23]2 GXUBPHMYNSICJC-UHFFFAOYSA-N.IVLICPVPXWEGCA-ZETCQYMHSA-N>>XGZAVASCVGOUOM-LJQANCHMSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:5]-[c:6]>>O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[OH;D1;+0:5]-[c:6] 46649d27f2a36a0341472fcb4a87996d3070196c5c9248118b6e08fdd6c79520 Br[C@H:6]([CH3:7])[C:8](=[O:9])[N:10]1[C:11]2=[C:12]([CH2:13][CH2:14][CH2:15][CH2:16]2)[CH2:17][C@H:18]1[C:19](=[O:20])[O:21][CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[CH3:1][CH2:2][CH2:3][C@H:4]([NH2:5])[C:29](=[O:30])[O:31][CH2:32][CH3:33]>CC#N.CCN(CC)CC>[CH3:1][CH2:2][CH2:3][C@H:4]([NH:5][C@@H:6]([CH3:7])[C:8](=[O:9])[N:10]1[C:11]2=[C:12]([CH2:13][CH2:14][CH2:15][CH2:16]2)[CH2:17][C@H:18]1[C:19](=[O:20])[O:21][CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[C:29](=[O:30])[O:31][CH2:32][CH3:33] DFHNZPSLKJHDPN-DYVFJYSZSA-N.DPBOUPADTRCCIH-LURJTMIESA-N>>UCASZFYRYYFGHP-HARLFGEKSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3](=[O;D1;H0:5])-[C@H;D3;+0:1](-[C;D1;H3:2])-[NH;D2;+0:12]-[C:11]-[C:9](=[O;D1;H0:10])-[#8:8]-[C:7]-[C;D1;H3:6]>>Br-[C@H;D3;+0:1](-[C;D1;H3:2])-[C:3](-[#7:4])=[O;D1;H0:5].[C;D1;H3:6]-[C:7]-[#8:8]-[C:9](=[O;D1;H0:10])-[C:11]-[NH2;D1;+0:12] bbc44fb786adde4a72cc9f2c73b90a06a415cdc7dfbf8d149a014b1e1ab16b61 Br[C@H:6]([CH3:7])[C:8](=[O:9])[N:10]1[C:11]2=[C:12]([CH2:13][CH2:14][CH2:15][CH2:16]2)[CH2:17][C@H:18]1[C:19](=[O:20])[OH:21].[CH3:1][CH2:2][CH2:3][C@H:4]([NH2:5])[C:22](=[O:23])[O:24][CH2:25][CH3:26]>CC#N.CCN(CC)CC.ClCCl>[CH3:1][CH2:2][CH2:3][C@H:4]([NH:5][C@@H:6]([CH3:7])[C:8](=[O:9])[N:10]1[C:11]2=[C:12]([CH2:13][CH2:14][CH2:15][CH2:16]2)[CH2:17][C@H:18]1[C:19](=[O:20])[OH:21])[C:22](=[O:23])[O:24][CH2:25][CH3:26] DPBOUPADTRCCIH-LURJTMIESA-N.JGXGXKQRLBSAQF-XCBNKYQSSA-N>>AQKPVUIAEWHKEQ-NOLJZWGESA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3](=[O;D1;H0:5])-[C@H;D3;+0:1](-[C;D1;H3:2])-[NH;D2;+0:12]-[C:11]-[C:9](=[O;D1;H0:10])-[#8:8]-[C:7]-[C;D1;H3:6]>>Br-[C@H;D3;+0:1](-[C;D1;H3:2])-[C:3](-[#7:4])=[O;D1;H0:5].[C;D1;H3:6]-[C:7]-[#8:8]-[C:9](=[O;D1;H0:10])-[C:11]-[NH2;D1;+0:12] bbc44fb786adde4a72cc9f2c73b90a06a415cdc7dfbf8d149a014b1e1ab16b61 [C:9]1(=[O:10])[C@H:11]([OH:12])[C@@H:15]([OH:16])[C@H:13]([OH:14])[C@@H:17]([CH2:19][OH:20])[O:18]1.[CH3:1][CH2:2][O:3][Si:4]([CH2:5][CH2:6][CH2:7][NH2:8])([O:21][CH2:22][CH3:23])[O:24][CH2:25][CH3:26]>>[CH3:1][CH2:2][O:3][Si:4]([CH2:5][CH2:6][CH2:7][NH:8][C:9](=[O:10])[C@H:11]([OH:12])[C@@H:13]([OH:14])[C@H:15]([OH:16])[C@H:17]([OH:18])[CH2:19][OH:20])([O:21][CH2:22][CH3:23])[O:24][CH2:25][CH3:26] PHOQVHQSTUBQQK-SQOUGZDYSA-N.WYTZZXDRDKSJID-UHFFFAOYSA-N>>RGFDUEXNZLUZGH-YIYPIFLZSA-N 0.0 Unrecognized False stereospecific False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C@@H;D3;+0:8](-[O;D1;H1:9])-[C@H;D3;+0:10](-[O;D1;H1:11])-[C@@H;D3;+0:6](-[O;D1;H1:7])-[C;H0;D3;+0:4](=[O;D1;H0:5])-[NH;D2;+0:13]-[C:12]>>[C:1]-[C@H;D3;+0:2]1-[O;H0;D2;+0:3]-[C;H0;D3;+0:4](=[O;D1;H0:5])-[C@H;D3;+0:6](-[O;D1;H1:7])-[C@@H;D3;+0:8](-[O;D1;H1:9])-[C@@H;D3;+0:10]-1-[O;D1;H1:11].[C:12]-[NH2;D1;+0:13] bcf1598633efc6c28029d5a538569ff5611ddcf33f817e86bc5f8665542918ce [CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C:9]1=[CH:10][CH2:11][C@:12]3([CH3:13])[C@@H:14]([OH:15])[CH2:16][CH2:17][C@H:18]3[C@:19]1([CH3:20])[CH2:21][CH2:22]2>C1CCOC1.CO.[Pd]>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C@H:9]1[CH2:10][CH2:11][C@:12]3([CH3:13])[C@@H:14]([OH:15])[CH2:16][CH2:17][C@H:18]3[C@:19]1([CH3:20])[CH2:21][CH2:22]2 DPYJSVBPRMTHDB-HAGHYFMRSA-N>>OWGUTNZBILGOQV-CXQPBAHBSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[CH2;D2;+0:2]-[C@@H;D3;+0:3](-[C:4])-[c:5]>>[C:1]-[CH;D2;+0:2]=[C;H0;D3;+0:3](-[C:4])-[c:5] 2db666334a8ad7e273f0d120c9bd029d99d5e603236cdbe1286481909795cff7 O[C@@H:5]([CH2:6][CH2:7][Cl:8])[c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1.[CH3:1][c:2]1[c:3]([OH:4])[cH:15][cH:16][c:17]([O:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[cH:26]1>C1CCOC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][c:2]1[c:3]([O:4][C@H:5]([CH2:6][CH2:7][Cl:8])[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][c:17]([O:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[cH:26]1 DMXZOCUVVOPORJ-UHFFFAOYSA-N.JZFUHAGLMZWKTF-VIFPVBQESA-N>>JXQIUZIOVBMPFD-LJQANCHMSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de N[C@@H:5]([CH2:4][CH2:3][CH2:2][CH3:1])[C:7](=[O:8])[OH:9].[BrH:6]>O.O=NO.[Na+]>[CH3:1][CH2:2][CH2:3][CH2:4][C@H:5]([Br:6])[C:7](=[O:8])[OH:9] CPELXLSAUQHCOX-UHFFFAOYSA-N.LRQKBLKVPFOOQJ-YFKPBYRVSA-N>>HZTPKMIMXLTOSK-YFKPBYRVSA-N 0.0 Unrecognized False stereospecific False [Br;H0;D1;+0:6]-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[BrH;D0;+0:6] 725b99ce5395867b212156ab1585cf7caca701dd3055539d65ad5fa62af6db35 N[C@@H:4]([C:2](=[O:1])[OH:3])[CH:6]1[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]1.[BrH:5]>O.O=NO.[Na+]>[O:1]=[C:2]([OH:3])[C@H:4]([Br:5])[CH:6]1[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]1 CPELXLSAUQHCOX-UHFFFAOYSA-N.WAMWSIDTKSNDCU-SSDOTTSWSA-N>>HQZXUBBDWRDPCS-SSDOTTSWSA-N 0.0 Unrecognized False stereospecific False [Br;H0;D1;+0:6]-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[BrH;D0;+0:6] ac8d916db1d5034b837f02d3a0ad72568c1299c3b09dba63fc44391a52faf6f6 N[C@H:5]([C@H:3]([CH2:2][CH3:1])[CH3:4])[C:7](=[O:8])[OH:9].[BrH:6]>O.O=NO.[Na+]>[CH3:1][CH2:2][C@H:3]([CH3:4])[C@@H:5]([Br:6])[C:7](=[O:8])[OH:9] AGPKZVBTJJNPAG-CRCLSJGQSA-N.CPELXLSAUQHCOX-UHFFFAOYSA-N>>GQZXYZIKUQUVKE-CRCLSJGQSA-N 0.0 Unrecognized False stereospecific False [Br;H0;D1;+0:6]-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[BrH;D0;+0:6] ac8d916db1d5034b837f02d3a0ad72568c1299c3b09dba63fc44391a52faf6f6 [CH3:1][CH2:2][C:3](=[O:4])[N:5]1[C:6](=[O:7])[O:8][C@@H:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[C@H:16]1[CH3:17].[CH:18](=[O:19])[C@@H:20]1[CH2:21][CH2:22][CH2:23][N:24]1[C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31]>CC(C)=O.CCCC[B+]CCCC.CCN(CC)CC.ClCCl.O=C=O.O=S(=O)(O)C(F)(F)F>[CH3:1][C@@H:2]([C:3](=[O:4])[N:5]1[C:6](=[O:7])[O:8][C@@H:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[C@H:16]1[CH3:17])[C@@H:18]([OH:19])[C@@H:20]1[CH2:21][CH2:22][CH2:23][N:24]1[C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31] YDBPZCVWPFMBDH-QMMMGPOBSA-N.ZMRFZBKROHCLIL-BXKDBHETSA-N>>FADHZFDKNRVYGL-QWXYKEQDSA-N 0.0 Unrecognized False substrate controlled False [#7:6]-[C:7]-[C@H;D3;+0:8](-[OH;D1;+0:9])-[C@@H;D3;+0:4](-[C;D1;H3:5])-[C:2](-[#7:1])=[O;D1;H0:3]>>[#7:1]-[C:2](=[O;D1;H0:3])-[CH2;D2;+0:4]-[C;D1;H3:5].[#7:6]-[C:7]-[CH;D2;+0:8]=[O;H0;D1;+0:9] 914d12ba24dca4595ca77f8c2b05bb8d212a2e2a634ca32d9948ca7340ab5e93 I[CH3:13].[CH3:1][CH:2]([CH3:3])[C@H:4]1[CH2:5][O:6][C:7](=[O:8])[N:9]1[C:10](=[O:11])[CH2:12][C:14]([CH3:15])([CH3:16])[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1>C1CCOC1.CCOC(C)=O.O.[Na]>[CH3:1][CH:2]([CH3:3])[C@H:4]1[CH2:5][O:6][C:7](=[O:8])[N:9]1[C:10](=[O:11])[C@@H:12]([CH3:13])[C:14]([CH3:15])([CH3:16])[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1 AWMNGEYCLNENMW-CQSZACIVSA-N.INQOMBQAUSQDDS-UHFFFAOYSA-N>>HHWPRSTWZVONLN-UKRRQHHQSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[C:6])-[CH3;D1;+0:1]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[C:6] 1abceb940cba10f04869aeff5bb4b0519820a1810b071eb0c21b4cc2df4255c1 CC(C)c1cc(C(C)C)c(S(=O)(=O)[N:11]=[N+:12]=[N-:13])c(C(C)C)c1.[CH3:1][C:2]([CH3:3])([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[CH2:10][C:14](=[O:15])[N:16]1[C:17](=[O:18])[O:19][CH2:20][C@@H:21]1[CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1>C1CCOC1.Cc1ccccc1.[K]>[CH3:1][C:2]([CH3:3])([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[C@H:10]([N:11]=[N+:12]=[N-:13])[C:14](=[O:15])[N:16]1[C:17](=[O:18])[O:19][CH2:20][C@@H:21]1[CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1 AEMWUHCKKDPRSK-UHFFFAOYSA-N.JJSJWSWLBJTXDS-SFHVURJKSA-N>>PTROWNIHGBQRFC-ZWKOTPCHSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]>>C-C(-C)-c1:c:c(-C(-C)-C):c(-S(=O)(=O)-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]):c(-C(-C)-C):c:1.[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 5d62210582e8509f7297b5a975afcc5b3dde53629231d99da0265d38e21e8265 [CH3:1][C:2]([CH3:3])([CH3:4])[NH:5][CH2:6][c:7]1[c:8]([Cl:9])[cH:10][c:11]2[c:12]([cH:13]1)[O:14][CH2:15][CH2:16][C:17]2=[O:18]>CC#N.CC(C)O.CCCCCC.CCN(CC)CC.CCOCC.Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1>[CH3:1][C:2]([CH3:3])([CH3:4])[NH:5][CH2:6][c:7]1[c:8]([Cl:9])[cH:10][c:11]2[c:12]([cH:13]1)[O:14][CH2:15][CH2:16][C@@H:17]2[OH:18] NJOMRIYDUPIKME-UHFFFAOYSA-N>>DSNJDGGDFHJLOO-LBPRGKRZSA-N 0.0 Unrecognized False reagent controlled False [#7:1]-[C:2]-[c:3]1:[c:4]:[c:5]:[c:6](-[C@H;D3;+0:7](-[C:8])-[OH;D1;+0:9]):[c:10]:[c:11]:1>>[#7:1]-[C:2]-[c:3]1:[c:4]:[c:5]:[c:6](-[C;H0;D3;+0:7](-[C:8])=[O;H0;D1;+0:9]):[c:10]:[c:11]:1 ba703f3b1183114519a2d0b99ba384bb3682c149940ad920f4f8fde69b171b85 [O:1]=[c:2]1[cH:3][cH:4][c:5]2[c:6]([C:7](=[O:8])[CH2:9][Br:10])[cH:11][cH:12][c:13]([O:14][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[c:22]2[nH:23]1>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12>[O:1]=[c:2]1[cH:3][cH:4][c:5]2[c:6]([C@@H:7]([OH:8])[CH2:9][Br:10])[cH:11][cH:12][c:13]([O:14][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[c:22]2[nH:23]1 RVHSDLUBNZBRMH-UHFFFAOYSA-N>>GNFMSZCSSUZAGV-HNNXBMFYSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [O:1]=[c:2]1[nH:3][c:4]2[c:5]([s:6]1)[c:7]([C:8](=[O:9])[CH2:10][Br:11])[cH:12][cH:13][c:14]2[O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CSC.Cc1ccccc1>[O:1]=[c:2]1[nH:3][c:4]2[c:5]([s:6]1)[c:7]([C@@H:8]([OH:9])[CH2:10][Br:11])[cH:12][cH:13][c:14]2[O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1 YUPXTVGBQAVLPF-UHFFFAOYSA-N>>RDHVNMHSQKTGEN-LBPRGKRZSA-N 0.0 Unrecognized False reagent controlled False [#16;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#16;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 610e51149fb24fc55c3b7d341967cddf460dc8529068ac786a593a0608a512b9 [N-:1]=[N+:2]=[N:3][CH2:4][C:5](=[O:6])[c:7]1[cH:8][c:9]([F:10])[c:11]([O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:20][cH:21]1>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CSC.Cc1ccccc1.Cl>[N-:1]=[N+:2]=[N:3][CH2:4][C@H:5]([OH:6])[c:7]1[cH:8][c:9]([F:10])[c:11]([O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:20][cH:21]1 SWCNXLFTFGKHLP-UHFFFAOYSA-N>>LMZNQYAYDZUVER-AWEZNQCLSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c Br[CH2:14][C:12]([c:11]1[cH:10][cH:9][c:7]([OH:8])[c:6]([NH:5][S:2]([CH3:1])(=[O:3])=[O:4])[cH:25]1)=[O:13].[NH2:15][C@H:16]([CH2:17][OH:18])[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1>CCN(C(C)C)C(C)C.CN(C)C=O>[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[c:7]([OH:8])[cH:9][cH:10][c:11]([C@@H:12]([OH:13])[CH2:14][NH:15][C@H:16]([CH2:17][OH:18])[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:25]1 GYEQBFBEBZJFLU-UHFFFAOYSA-N.IJXJGQCXFSSHNL-MRVPVSSYSA-N>>AKZUDUIJBLPUOV-WBVHZDCISA-N 0.0 Unrecognized False substrate controlled False [OH;D1;+0:3]-[C@H;D3;+0:2](-[c:4])-[CH2;D2;+0:1]-[NH;D2;+0:5]-[C:6]-[c:7]1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1>>Br-[CH2;D2;+0:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4].[NH2;D1;+0:5]-[C:6]-[c:7]1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1 a4bd83568895df73add8bca590ff8889cf0ba3cd22864a9e323e50190e72ef3e [CH3:1][c:2]1[c:3]([N:4]2[CH2:5][C@@H:6]3[C:7](=[O:8])[CH2:9][CH2:10][CH2:11][N:12]3[C:13]2=[O:14])[cH:15][cH:16][c:17]([C:18]#[N:19])[c:20]1[Cl:21]>CC#N.CCOC(C)=O.CO.B.[Na+]>[CH3:1][c:2]1[c:3]([N:4]2[CH2:5][C@@H:6]3[C@@H:7]([OH:8])[CH2:9][CH2:10][CH2:11][N:12]3[C:13]2=[O:14])[cH:15][cH:16][c:17]([C:18]#[N:19])[c:20]1[Cl:21] ADMDYUVZLMBJFX-GFCCVEGCSA-N>>OFZJBWZDDYIZFQ-OLZOCXBDSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 24a10c55c777a445640c9a082c0e3e06b05e2ae67a251c9c99a2481cce24d018 CS(=O)(=O)O[C@@H:3]1[CH2:4][CH2:5][N:6]([c:7]2[n:8][c:9]3[cH:10][cH:11][c:12]([Cl:13])[c:14]([NH:15][C:16](=[O:17])[CH2:18][CH:19]4[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]4)[c:25]3[cH:26][cH:27]2)[CH2:28]1.[CH3:1][NH2:2]>CCO>[CH3:1][NH:2][C@H:3]1[CH2:4][CH2:5][N:6]([c:7]2[n:8][c:9]3[cH:10][cH:11][c:12]([Cl:13])[c:14]([NH:15][C:16](=[O:17])[CH2:18][CH:19]4[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]4)[c:25]3[cH:26][cH:27]2)[CH2:28]1 BAVYZALUXZFZLV-UHFFFAOYSA-N.MASYDAFXIOQVHS-MRXNPFEDSA-N>>PBEDBKAWEURFHD-INIZCTEOSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[NH;D2;+0:6]-[C;D1;H3:5]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C;D1;H3:5]-[NH2;D1;+0:6] 9b64b7befc3c94be25b88084aa7b9335a4f0d897b536d63701f409c7ca47ea05 Cl[OH:19].[CH3:1][O:2][CH:3]([O:4][CH3:5])[C@@:6]1([CH3:7])[O:8][c:9]2[c:10]([cH:11][c:12]([N+:13](=[O:14])[O-:15])[cH:16][cH:17]2)[CH:18]=[CH:20]1>ClCCl.[Na+]>[CH3:1][O:2][CH:3]([O:4][CH3:5])[C@@:6]1([CH3:7])[O:8][c:9]2[c:10]([cH:11][c:12]([N+:13](=[O:14])[O-:15])[cH:16][cH:17]2)[C@@H:18]2[O:19][C@H:20]12 FQQAVRSUTPXFRX-ZDUSSCGKSA-N.QWPPOHNGKGFGJK-UHFFFAOYSA-N>>IUCVZCYPEDRIRJ-GVXVVHGQSA-N 0.0 Unrecognized True substrate controlled False [C@H;D3;+0:2]1-[C@H;D3;+0:3]-[O;H0;D2;+0:1]-1>>Cl-[OH;D1;+0:1].[CH;D2;+0:2]=[CH;D2;+0:3] 0a2fc8d2c1e1a6a01dc81bf83e3c9b90d1720489fd6bff98f3bc17c35940f108 [CH3:1][C:2]([CH3:3])([CH3:4])[NH:5][CH2:6][c:7]1[c:8]([Cl:9])[cH:10][c:11]2[c:12]([cH:13]1)[O:14][CH2:15][CH2:16][C:17]2=[O:18]>CC#N.CC(C)O.CCCCCC.CCN(CC)CC.CCOCC.Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1>[CH3:1][C:2]([CH3:3])([CH3:4])[NH:5][CH2:6][c:7]1[c:8]([Cl:9])[cH:10][c:11]2[c:12]([cH:13]1)[O:14][CH2:15][CH2:16][C@@H:17]2[OH:18] NJOMRIYDUPIKME-UHFFFAOYSA-N>>DSNJDGGDFHJLOO-LBPRGKRZSA-N 0.0 Unrecognized False reagent controlled True [#7:1]-[C:2]-[c:3]1:[c:4]:[c:5]:[c:6](-[C@@H;D3;+0:7](-[C:8])-[OH;D1;+0:9]):[c:10]:[c:11]:1>>[#7:1]-[C:2]-[c:3]1:[c:4]:[c:5]:[c:6](-[C;H0;D3;+0:7](-[C:8])=[O;H0;D1;+0:9]):[c:10]:[c:11]:1 679c662d450392c42ce23c9b6223d7ae557ea1f9323ee57d54b2fef5806e2247 [O:1]=[c:2]1[cH:3][cH:4][c:5]2[c:6]([C:7](=[O:8])[CH2:9][Br:10])[cH:11][cH:12][c:13]([O:14][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[c:22]2[nH:23]1>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12>[O:1]=[c:2]1[cH:3][cH:4][c:5]2[c:6]([C@@H:7]([OH:8])[CH2:9][Br:10])[cH:11][cH:12][c:13]([O:14][CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[c:22]2[nH:23]1 RVHSDLUBNZBRMH-UHFFFAOYSA-N>>GNFMSZCSSUZAGV-HNNXBMFYSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [O:1]=[c:2]1[nH:3][c:4]2[c:5]([s:6]1)[c:7]([C:8](=[O:9])[CH2:10][Br:11])[cH:12][cH:13][c:14]2[O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CSC.Cc1ccccc1>[O:1]=[c:2]1[nH:3][c:4]2[c:5]([s:6]1)[c:7]([C@@H:8]([OH:9])[CH2:10][Br:11])[cH:12][cH:13][c:14]2[O:15][CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1 YUPXTVGBQAVLPF-UHFFFAOYSA-N>>RDHVNMHSQKTGEN-LBPRGKRZSA-N 0.0 Unrecognized False reagent controlled True [#16;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#16;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 81140bf5833526736f9b408e7c6e9600135a22457445673ebc0febc54d5161b4 [N-:1]=[N+:2]=[N:3][CH2:4][C:5](=[O:6])[c:7]1[cH:8][c:9]([F:10])[c:11]([O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:20][cH:21]1>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CSC.Cc1ccccc1.Cl>[N-:1]=[N+:2]=[N:3][CH2:4][C@H:5]([OH:6])[c:7]1[cH:8][c:9]([F:10])[c:11]([O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:20][cH:21]1 SWCNXLFTFGKHLP-UHFFFAOYSA-N>>LMZNQYAYDZUVER-AWEZNQCLSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([cH:9][cH:10]1)[C:11](=[O:12])[CH2:13][CH2:14][CH2:15]2>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CO.Cc1ccccc1>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([cH:9][cH:10]1)[C@@H:11]([OH:12])[CH2:13][CH2:14][CH2:15]2 QMICDTYERUBTNO-UHFFFAOYSA-N>>JHHRDBVCXBENEC-NSHDSACASA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]1:[c:5]:[c:6]:[c:7](-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]):[c:12]:[c:13]:1>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4]1:[c:5]:[c:6]:[c:7](-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]):[c:12]:[c:13]:1 d01a8c2a652585c68b27cf7afb51e0f226b3584dc692dc384bdc3643d1930c8f [CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]([cH:10]1)[O:11][CH2:12][CH2:13][C:14]2=[O:15]>CC#N.CC(C)O.Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]([cH:10]1)[O:11][CH2:12][CH2:13][C@@H:14]2[OH:15] VHVGLYNWKHXGJG-UHFFFAOYSA-N>>LFICZGOSAKNVIV-VIFPVBQESA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]1:[c:5]:[c:6]:[c:7](-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]):[c:12]:[c:13]:1>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4]1:[c:5]:[c:6]:[c:7](-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]):[c:12]:[c:13]:1 d01a8c2a652585c68b27cf7afb51e0f226b3584dc692dc384bdc3643d1930c8f O=P(c1ccccc1)(c1ccccc1)[N:3]=[N+:2]=[N-:1].O[C@H:4]1[CH2:5][CH2:6][CH2:7][c:8]2[c:9]1[cH:10][cH:11][c:12]([CH:13]=[O:14])[cH:15]2>C1CCC2=NCCCN2CC1.Cc1ccccc1>[N-:1]=[N+:2]=[N:3][C@@H:4]1[CH2:5][CH2:6][CH2:7][c:8]2[c:9]1[cH:10][cH:11][c:12]([CH:13]=[O:14])[cH:15]2 MKRTXPORKIRPDG-UHFFFAOYSA-N.VZGJKKNOXUXATB-NSHDSACASA-N>>YCNHRVQORQSESX-LLVKDONJSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].O=P(-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6])(-c1:c:c:c:c:c:1)-c1:c:c:c:c:c:1 ab6024695fd701762ae9e20213f5206f982841807bb21b41ca56b06d668bb63c CC(C)c1cc(C(C)C)c(S(=O)(=O)[N:10]=[N+:11]=[N-:12])c(C(C)C)c1.[CH3:1][C@H:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[CH2:9][C:13](=[O:14])[N:15]1[C:16](=[O:17])[O:18][CH2:19][C@@H:20]1[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1>C1CCOC1.CC(=O)O.C[Si](C)(C)N[Si](C)(C)C.O.[K+]>[CH3:1][C@H:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[C@H:9]([N:10]=[N+:11]=[N-:12])[C:13](=[O:14])[N:15]1[C:16](=[O:17])[O:18][CH2:19][C@@H:20]1[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1 AEMWUHCKKDPRSK-UHFFFAOYSA-N.QTEDIMBXZHKQES-WMLDXEAASA-N>>KUQVIKCCXZZXPT-XYPHTWIQSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]>>C-C(-C)-c1:c:c(-C(-C)-C):c(-S(=O)(=O)-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]):c(-C(-C)-C):c:1.[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 5d62210582e8509f7297b5a975afcc5b3dde53629231d99da0265d38e21e8265 Br[CH2:28][C:26]([c:25]1[cH:24][cH:23][c:14]([O:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[c:13]([N:5]([S:2]([CH3:1])(=[O:3])=[O:4])[CH2:6][c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[cH:39]1)=[O:27].[NH2:29][C@H:30]([CH2:31][OH:32])[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>C1CCOC1.CCN(C(C)C)C(C)C>[CH3:1][S:2](=[O:3])(=[O:4])[N:5]([CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[c:13]1[c:14]([O:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:23][cH:24][c:25]([C@@H:26]([OH:27])[CH2:28][NH:29][C@H:30]([CH2:31][OH:32])[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39]1 IJXJGQCXFSSHNL-MRVPVSSYSA-N.SZPBMKDOFNOODB-UHFFFAOYSA-N>>PQAXKVGUYBTMFX-DGPALRBDSA-N 0.0 Unrecognized False substrate controlled False [OH;D1;+0:3]-[C@H;D3;+0:2](-[c:4])-[CH2;D2;+0:1]-[NH;D2;+0:5]-[C:6]-[c:7]1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1>>Br-[CH2;D2;+0:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4].[NH2;D1;+0:5]-[C:6]-[c:7]1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1 a4bd83568895df73add8bca590ff8889cf0ba3cd22864a9e323e50190e72ef3e [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][C:11](=[O:12])[CH2:13][N+:14](=[O:15])[O-:16])[C:17](=[O:18])[O:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1>C1CCOC1.Cl.N>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][C@@H:11]([OH:12])[CH2:13][N+:14](=[O:15])[O-:16])[C:17](=[O:18])[O:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1 IKUQTVBYDZGPLP-AWEZNQCLSA-N>>CWZYJOQVHVCFLL-KGLIPLIRSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d O=[C:28]1[CH2:29][CH2:30][O:31][CH2:32][CH:33]1[CH3:34].[CH3:1][CH2:2][O:3][CH2:4][C@:5]1([C:6](=[O:7])[N:8]2[CH2:9][CH2:10][N:11]([c:12]3[n:13][cH:14][cH:15][c:16]([C:17]([F:18])([F:19])[F:20])[cH:21]3)[CH2:22][CH2:23]2)[CH2:24][CH2:25][C@@H:26]([NH2:27])[CH2:35]1>CC(=O)OB(OC(C)=O)OC(C)=O.CCN(CC)CC.Cl.Cl.ClCCl.[Na+]>[CH3:1][CH2:2][O:3][CH2:4][C@:5]1([C:6](=[O:7])[N:8]2[CH2:9][CH2:10][N:11]([c:12]3[n:13][cH:14][cH:15][c:16]([C:17]([F:18])([F:19])[F:20])[cH:21]3)[CH2:22][CH2:23]2)[CH2:24][CH2:25][C@@H:26]([NH:27][C@@H:28]2[CH2:29][CH2:30][O:31][CH2:32][CH:33]2[CH3:34])[CH2:35]1 PGPWMORFOPRGCA-UHFFFAOYSA-N.RCCMFARRAXGKFY-QAPCUYQASA-N>>CMBVRKMLOBDWKC-OQOBIIDESA-N 0.0 Unrecognized False substrate controlled False [C:4]-[NH;D2;+0:5]-[C@H;D3;+0:1](-[C:2])-[C:3]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[C:4]-[NH2;D1;+0:5] c2454aeb328665781ecf13b70416538e76f18f1493bca8d1b83cab39de9515bc O=[C:7]1[CH:2]([CH3:1])[CH2:3][O:4][CH2:5][CH2:6]1.[NH2:8][C@@H:9]1[CH2:10][CH2:11][C@@:12]([C:13](=[O:14])[N:15]2[CH2:16][CH2:17][N:18]([c:19]3[n:20][cH:21][cH:22][c:23]([C:24]([F:25])([F:26])[F:27])[cH:28]3)[CH2:29][CH2:30]2)([C@H:31]2[CH2:32][CH2:33][O:34][CH2:35]2)[CH2:36]1>CC(=O)OB(OC(C)=O)OC(C)=O.CCN(CC)CC.Cl.Cl.ClCCl.[Na+]>[CH3:1][CH:2]1[CH2:3][O:4][CH2:5][CH2:6][C@H:7]1[NH:8][C@@H:9]1[CH2:10][CH2:11][C@@:12]([C:13](=[O:14])[N:15]2[CH2:16][CH2:17][N:18]([c:19]3[n:20][cH:21][cH:22][c:23]([C:24]([F:25])([F:26])[F:27])[cH:28]3)[CH2:29][CH2:30]2)([C@H:31]2[CH2:32][CH2:33][O:34][CH2:35]2)[CH2:36]1 PGPWMORFOPRGCA-UHFFFAOYSA-N.QVARAAOQRJYNRO-FCEWJHQRSA-N>>KDKQOLOOYNPDCT-KHTRAJBUSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C:3])-[NH;D2;+0:5]-[C:4]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[C:4]-[NH2;D1;+0:5] a8e56c9c6336cfc3fc1d08acd8bbc81ff9882c9f18f2ba601555112e48f8efac [CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([cH:9][cH:10]1)[C:11](=[O:12])[CH2:13][CH2:14][CH2:15]2>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CO.Cc1ccccc1>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([cH:9][cH:10]1)[C@@H:11]([OH:12])[CH2:13][CH2:14][CH2:15]2 QMICDTYERUBTNO-UHFFFAOYSA-N>>JHHRDBVCXBENEC-NSHDSACASA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]1:[c:5]:[c:6]:[c:7](-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]):[c:12]:[c:13]:1>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4]1:[c:5]:[c:6]:[c:7](-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]):[c:12]:[c:13]:1 4cff05ad9f13a4baf2032af4380be596a7085da0a729612a6221054140cb3120 [CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]([cH:10]1)[O:11][CH2:12][CH2:13][C:14]2=[O:15]>CC#N.CC(C)O.Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]([cH:10]1)[O:11][CH2:12][CH2:13][C@@H:14]2[OH:15] VHVGLYNWKHXGJG-UHFFFAOYSA-N>>LFICZGOSAKNVIV-VIFPVBQESA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]1:[c:5]:[c:6]:[c:7](-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]):[c:12]:[c:13]:1>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4]1:[c:5]:[c:6]:[c:7](-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]):[c:12]:[c:13]:1 4cff05ad9f13a4baf2032af4380be596a7085da0a729612a6221054140cb3120 CS(=O)(=O)O[C@@H:4]1[CH2:5][CH2:6][N:7]([CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:15]1.[N-:1]=[N+:2]=[N-:3]>CN(C)C=O.O.[Na+]>[N-:1]=[N+:2]=[N:3][C@H:4]1[CH2:5][CH2:6][N:7]([CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:15]1 IVRMZWNICZWHMI-UHFFFAOYSA-N.NZIDTDIDEPGKHB-GFCCVEGCSA-N>>KPXBMEKTAFSEQX-NSHDSACASA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[N;H0;D2;+0:5]=[#7;+:6]=[N;-;D1;H0:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[N-;H0;D1:5]=[#7;+:6]=[N;-;D1;H0:7] cee6527eab5a54306a8d3e1cef9fc6df0aee5943199b78d40e3c41180b7edec1 [CH3:1][O:2][c:3]1[cH:4][c:5]([F:6])[c:7]2[n:8][cH:9][cH:10][c:11]([C:12](=[O:13])[CH2:14][Br:15])[c:16]2[cH:17]1>C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C.Cc1ccccc1.OCCNCCO>[CH3:1][O:2][c:3]1[cH:4][c:5]([F:6])[c:7]2[n:8][cH:9][cH:10][c:11]([C@@H:12]([OH:13])[CH2:14][Br:15])[c:16]2[cH:17]1 NCCRNXLQJQPQPJ-UHFFFAOYSA-N>>XTEQBTGGUHEWOR-NSHDSACASA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([C:12](=[O:13])[c:14]2[cH:15][cH:16][c:17]([Br:18])[cH:19][cH:20]2)[CH2:21][CH2:22]1>C1CCOC1.C[C@@H]1C2CCC(C[C@H]1B(Cl)[C@@H]1CC3CCC([C@H]1C)C3(C)C)C2(C)C>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([C@H:12]([OH:13])[c:14]2[cH:15][cH:16][c:17]([Br:18])[cH:19][cH:20]2)[CH2:21][CH2:22]1 CJXZBFPDZDHCJT-UHFFFAOYSA-N>>UNTDMLOQTJNFFZ-OAHLLOKOSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([C:12](=[O:13])[c:14]2[cH:15][cH:16][c:17]([Br:18])[cH:19][cH:20]2)[CH2:21][CH2:22]1>C1CCOC1.C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([C@@H:12]([OH:13])[c:14]2[cH:15][cH:16][c:17]([Br:18])[cH:19][cH:20]2)[CH2:21][CH2:22]1 CJXZBFPDZDHCJT-UHFFFAOYSA-N>>UNTDMLOQTJNFFZ-HNNXBMFYSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 O=[C:2]([CH3:1])[c:10]1[cH:11][c:12]2[c:13]([cH:14][cH:15]1)[n:16][n:17][nH:18]2.[NH2:3][S@:4](=[O:5])[C:6]([CH3:7])([CH3:8])[CH3:9]>C1CCOC1.CCO.CCO.CCO.CCO.CCO.O.B.[Na+].[Ti+4]>[CH3:1][C@@H:2]([NH:3][S:4](=[O:5])[C:6]([CH3:7])([CH3:8])[CH3:9])[c:10]1[cH:11][c:12]2[c:13]([cH:14][cH:15]1)[n:16][n:17][nH:18]2 CESUXLKAADQNTB-SSDOTTSWSA-N.XZIUKEJTWSKJBW-UHFFFAOYSA-N>>DYYYZOIAJLFGFA-XENHGZCFSA-N 0.0 Unrecognized False substrate controlled False [C:4]-[S;H0;D3;+0:5](=[O;D1;H0:7])-[NH;D2;+0:6]-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>O=[C;H0;D3;+0:1](-[C;D1;H3:2])-[c:3].[C:4]-[S@;H0;D3;+0:5](-[NH2;D1;+0:6])=[O;D1;H0:7] 2d2021249593922e7108aecd5e9f4c0c82b6974d7e1daf72f6d0302d80b94678 [CH3:1][C:2](=[O:3])/[CH:4]=[CH:5]/[c:6]1[cH:7][cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[cH:14][cH:15]1>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][C@H:2]([OH:3])/[CH:4]=[CH:5]/[c:6]1[cH:7][cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[cH:14][cH:15]1 PHVQEHOBDSECPV-NSCUHMNNSA-N>>MZBMFWOOKDHWEH-SGJFDWMWSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])/[C:4]=[C:5]/[c:6]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])/[C:4]=[C:5]/[c:6] 2a6d37e8e70e3ae63d2044c611452a7e2069609921f230c421d25cc7008db924 [CH3:1][C:2](=[O:3])[C@H:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[cH:14][cH:15]1)[N:16]([CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>C1CCOC1.CCCCCC.CCOC(C)=O.CO.O.B.Cl.[Na+].[Na+]>[CH3:1][C@H:2]([OH:3])[C@H:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[cH:14][cH:15]1)[N:16]([CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1 IGAUUKYSEFSWIU-DEOSSOPVSA-N>>FXGOAIGUXJIUHR-CYFREDJKSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C;D1;H3:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 Br[Mg][CH3:1].[CH:2](=[O:3])[C@H:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[cH:14][cH:15]1)[N:16]([CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>CCOCC.Cl.N>[CH3:1][C@@H:2]([OH:3])[C@H:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[cH:14][cH:15]1)[N:16]([CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1 AVFUHBJCUUTGCD-UHFFFAOYSA-M.IOQYULGNMCEBRI-QHCPKHFHSA-N>>FXGOAIGUXJIUHR-DVECYGJZSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:3](-[CH3;D1;+0:1])-[OH;D1;+0:4]>>Br-[Mg]-[CH3;D1;+0:1].[C:2]-[CH;D2;+0:3]=[O;H0;D1;+0:4] 99aac8a0630883d0a1a9bce0d5fae7f6a9e888d034cce99712544a53187b1371 [CH3:1][C:2](=[O:3])[c:4]1[c:5]([Cl:6])[cH:7][cH:8][cH:9][cH:10]1>C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)C[C@@H]2C[C@@H]1C2(C)C>[CH3:1][C@@H:2]([OH:3])[c:4]1[c:5]([Cl:6])[cH:7][cH:8][cH:9][cH:10]1 ZDOYHCIRUPHUHN-UHFFFAOYSA-N>>DDUBOVLGCYUYFX-ZCFIWIBFSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 O[OH:12].[CH3:1][O:2][c:3]1[n:4][c:5]2[c:6]([cH:7][cH:8]1)[nH:9][c:10]([S:11][CH2:13][c:14]1[n:15][cH:16][c:17]([CH3:18])[c:19]([O:20][CH3:21])[c:22]1[CH3:23])[n:24]2>CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)c1ccccc1.CN(C)C=O.N[C@@H]1c2ccccc2C[C@@H]1O.[Ti+4]>[CH3:1][O:2][c:3]1[n:4][c:5]2[c:6]([cH:7][cH:8]1)[nH:9][c:10]([S@@:11](=[O:12])[CH2:13][c:14]1[n:15][cH:16][c:17]([CH3:18])[c:19]([O:20][CH3:21])[c:22]1[CH3:23])[n:24]2 MHAJPDPJQMAIIY-UHFFFAOYSA-N.ZZRLRRBNMPMTIL-UHFFFAOYSA-N>>ZBFDAUIVDSSISP-DEOSSOPVSA-N 0.0 Unrecognized False reagent controlled False [#7;a:2]:[c:3](:[#7;a:4])-[S@;H0;D3;+0:5](-[C:6])=[O;H0;D1;+0:1]>>O-[OH;D1;+0:1].[#7;a:2]:[c:3](:[#7;a:4])-[S;H0;D2;+0:5]-[C:6] 5823de46f4ff6c34944529f5b9e9334c21ead8bda072ef34c8ca1dc94bb2fb05 O[C@@H:12]1[CH2:13][CH2:14][N:15]([CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH2:23]1.[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][c:10]([OH:11])[cH:24][cH:25][c:26]2[nH:27]1>CCCCP(CCCC)CCCC.O=C(N=NC(=O)N1CCCCC1)N1CCCCC1>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][c:10]([O:11][C@H:12]3[CH2:13][CH2:14][N:15]([CH2:16][c:17]4[cH:18][cH:19][cH:20][cH:21][cH:22]4)[CH2:23]3)[cH:24][cH:25][c:26]2[nH:27]1 WANAXLMRGYGCPC-UHFFFAOYSA-N.YQMXOIAIYXXXEE-LLVKDONJSA-N>>UOJFSJDCLCUALG-IBGZPJMESA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:5]-[c:6]>>O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[OH;D1;+0:5]-[c:6] 46649d27f2a36a0341472fcb4a87996d3070196c5c9248118b6e08fdd6c79520 O=[C:10]([CH2:9][c:8]1[cH:7][c:6]([CH2:5][C:3]([O:2][CH3:1])=[O:4])[cH:23][cH:22][cH:21]1)[CH3:11].[NH2:12][C@H:13]([CH3:14])[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1>CC(=O)O.CC(=O)OB(OC(C)=O)OC(C)=O.ClCCl.[Na+]>[CH3:1][O:2][C:3](=[O:4])[CH2:5][c:6]1[cH:7][c:8]([CH2:9][C@@H:10]([CH3:11])[NH:12][C@H:13]([CH3:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:21][cH:22][cH:23]1 CCUFJSRTMDUHLG-UHFFFAOYSA-N.RQEUFEKYXDPUSK-SSDOTTSWSA-N>>BPGREBLIYAFVNF-HZPDHXFCSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C;D1;H3:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 e2359fb816f6bae4d842f90c85938e1b4e834430a7315ba854d2d2cb224bedee [CH2:10]([O:11][CH:12]([CH3:13])[CH3:14])[C:15](=[O:16])[N:17]1[C:18](=[O:19])[O:20][CH2:21][C@@H:22]1[CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[CH3:1][CH2:2][O:3][c:4]1[cH:5][cH:6][c:7]([CH:8]=[O:9])[cH:30][cH:31]1>>[CH3:1][CH2:2][O:3][c:4]1[cH:5][cH:6][c:7]([C@@H:8]([OH:9])[C@H:10]([O:11][CH:12]([CH3:13])[CH3:14])[C:15](=[O:16])[N:17]2[C:18](=[O:19])[O:20][CH2:21][C@@H:22]2[CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:30][cH:31]1 JRHHJNMASOIRDS-UHFFFAOYSA-N.WLCITMKILUZREK-ZDUSSCGKSA-N>>VXYNYWWTUIRGRP-NNWRFLSQSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2](=[O;D1;H0:3])-[C@@H;D3;+0:4](-[#8:5])-[C@H;D3;+0:7](-[OH;D1;+0:6])-[c:8]>>[#7:1]-[C:2](=[O;D1;H0:3])-[CH2;D2;+0:4]-[#8:5].[O;H0;D1;+0:6]=[CH;D2;+0:7]-[c:8] 58d4fe80ba1c7a48ee1ec1c2337629c791732ab635be2fd1317597cb9bb5c92c [CH3:1][C:2](=[O:3])[c:4]1[c:5]([Cl:6])[cH:7][cH:8][cH:9][cH:10]1>C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)C[C@@H]2C[C@@H]1C2(C)C>[CH3:1][C@@H:2]([OH:3])[c:4]1[c:5]([Cl:6])[cH:7][cH:8][cH:9][cH:10]1 ZDOYHCIRUPHUHN-UHFFFAOYSA-N>>DDUBOVLGCYUYFX-ZCFIWIBFSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c O[OH:12].[CH3:1][O:2][c:3]1[n:4][c:5]2[c:6]([cH:7][cH:8]1)[nH:9][c:10]([S:11][CH2:13][c:14]1[n:15][cH:16][c:17]([CH3:18])[c:19]([O:20][CH3:21])[c:22]1[CH3:23])[n:24]2>CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)c1ccccc1.CN(C)C=O.N[C@@H]1c2ccccc2C[C@@H]1O.[Ti+4]>[CH3:1][O:2][c:3]1[n:4][c:5]2[c:6]([cH:7][cH:8]1)[nH:9][c:10]([S@@:11](=[O:12])[CH2:13][c:14]1[n:15][cH:16][c:17]([CH3:18])[c:19]([O:20][CH3:21])[c:22]1[CH3:23])[n:24]2 MHAJPDPJQMAIIY-UHFFFAOYSA-N.ZZRLRRBNMPMTIL-UHFFFAOYSA-N>>ZBFDAUIVDSSISP-DEOSSOPVSA-N 0.0 Unrecognized False reagent controlled True [#7;a:2]:[c:3](:[#7;a:4])-[S@@;H0;D3;+0:5](-[C:6])=[O;H0;D1;+0:1]>>O-[OH;D1;+0:1].[#7;a:2]:[c:3](:[#7;a:4])-[S;H0;D2;+0:5]-[C:6] aa18beffd30049606428ab1c7c6658517de35e4a7c80e5d754b5ffe6dee4a822 Br[CH2:20][C:19]([C@@H:9]([NH:8][C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:10][c:11]1[cH:12][c:13]([F:14])[c:15]([F:16])[cH:17][cH:18]1)=[O:21]>C1CCOC1.CCO.B.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][c:13]([F:14])[c:15]([F:16])[cH:17][cH:18]1)[C@H:19]1[CH2:20][O:21]1 OUUINSKQABOFPX-LBPRGKRZSA-N>>KBDDHWCCEJPMLZ-QWHCGFSZSA-N 0.0 Unrecognized True substrate controlled False [C@@H;D3;+0:2]1-[CH2;D2;+0:1]-[O;H0;D2;+0:3]-1>>Br-[CH2;D2;+0:1]-[C;H0;D3;+0:2]=[O;H0;D1;+0:3] ac8937a87a30632d29323b1570ec4c3062e4719c00670bd84d926d8aa910dfe8 [CH2:1]=[CH:2][CH2:3][CH2:4][CH2:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][c:11](-[c:12]2[c:13]([Cl:14])[cH:15][c:16]([Cl:17])[cH:18][cH:19]2)[cH:20][cH:21]1>CCOCC.C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C>[CH2:1]=[CH:2][CH2:3][CH2:4][CH2:5][C@@H:6]([OH:7])[c:8]1[cH:9][cH:10][c:11](-[c:12]2[c:13]([Cl:14])[cH:15][c:16]([Cl:17])[cH:18][cH:19]2)[cH:20][cH:21]1 OACGPLSHQQIDNM-UHFFFAOYSA-N>>NVBNRFXYADMUGS-GOSISDBHSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH2:1]=[CH:2][CH2:3][CH2:4][CH2:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][c:11](-[c:12]2[c:13]([Cl:14])[cH:15][c:16]([Cl:17])[cH:18][cH:19]2)[cH:20][cH:21]1>CCOCC.C[C@@H]1C2CCC(C[C@H]1B(Cl)[C@@H]1CC3CCC([C@H]1C)C3(C)C)C2(C)C>[CH2:1]=[CH:2][CH2:3][CH2:4][CH2:5][C@H:6]([OH:7])[c:8]1[cH:9][cH:10][c:11](-[c:12]2[c:13]([Cl:14])[cH:15][c:16]([Cl:17])[cH:18][cH:19]2)[cH:20][cH:21]1 OACGPLSHQQIDNM-UHFFFAOYSA-N>>NVBNRFXYADMUGS-SFHVURJKSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c O=[CH:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[CH3:1][NH:2][C:3](=[O:4])[C@H:5]([CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[NH2:13]>CCOC(C)=O.CO.Cc1ccc(S(=O)(=O)O)cc1.O>[CH3:1][N:2]1[C:3](=[O:4])[C@H:5]([CH2:6][c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[NH:13][C@@H:14]1[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1 BVRKOQJETMBIDK-VIFPVBQESA-N.HUMNYLRZRPPJDN-UHFFFAOYSA-N>>SRAHHTPNHRABOU-HOTGVXAUSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D3;+0:4]1-[C@H;D3;+0:3]-[NH;D2;+0:2]-[C@H;D3;+0:1]-[N;H0;D3;+0:5]-1>>O=[CH;D2;+0:1].[NH2;D1;+0:2]-[C@H;D3;+0:3]-[C;H0;D3;+0:4]-[NH;D2;+0:5] 4affabb300405c86b5efe7b32bc1c130b68df513bce638e8b5eb2a999e2e6714 O=[CH:6][c:5]1[cH:4][cH:3][c:2]([CH3:1])[o:20]1.[NH2:7][C@@H:8]([CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[C:16](=[O:17])[NH:18][CH3:19]>C1CCOC1.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Sm+3]>[CH3:1][c:2]1[cH:3][cH:4][c:5]([C@H:6]2[NH:7][C@@H:8]([CH2:9][c:10]3[cH:11][cH:12][cH:13][cH:14][cH:15]3)[C:16](=[O:17])[N:18]2[CH3:19])[o:20]1 BVRKOQJETMBIDK-VIFPVBQESA-N.OUDFNZMQXZILJD-UHFFFAOYSA-N>>IQIMPHPFMHVWBZ-ZFWWWQNUSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D3;+0:4]1-[C@@H;D3;+0:3]-[NH;D2;+0:2]-[C@@H;D3;+0:1]-[N;H0;D3;+0:5]-1>>O=[CH;D2;+0:1].[NH2;D1;+0:2]-[C@@H;D3;+0:3]-[C;H0;D3;+0:4]-[NH;D2;+0:5] 4affabb300405c86b5efe7b32bc1c130b68df513bce638e8b5eb2a999e2e6714 [CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([C:7]([CH3:8])=[O:9])[c:10]1[I:11]>C1CCOC1.CO.C[C@@H]1C2CCC(C[C@H]1B(Cl)[C@@H]1CC3CCC([C@H]1C)C3(C)C)C2(C)C.NCCO>[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([C@H:7]([CH3:8])[OH:9])[c:10]1[I:11] BMUDGSSRVPNBJV-UHFFFAOYSA-N>>BRHIOCDGIQAQQQ-ZETCQYMHSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([C:7]([CH3:8])=[O:9])[c:10]1[I:11]>C1CCOC1.CO.C[C@@H]1C2CCC(C[C@H]1B(Cl)[C@@H]1CC3CCC([C@H]1C)C3(C)C)C2(C)C.NCCO>[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([C@H:7]([CH3:8])[OH:9])[c:10]1[I:11] BMUDGSSRVPNBJV-UHFFFAOYSA-N>>BRHIOCDGIQAQQQ-ZETCQYMHSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 I[CH3:1].[CH2:2]([C:3](=[O:4])[N:5]1[C:6](=[O:7])[O:8][CH2:9][C@H:10]1[CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[c:18]1[cH:19][cH:20][c:21]([Br:22])[cH:23][cH:24]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[CH3:1][C@@H:2]([C:3](=[O:4])[N:5]1[C:6](=[O:7])[O:8][CH2:9][C@H:10]1[CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[c:18]1[cH:19][cH:20][c:21]([Br:22])[cH:23][cH:24]1 INQOMBQAUSQDDS-UHFFFAOYSA-N.UVIMFFKYYGMNBE-MRXNPFEDSA-N>>LEPQCROHRLJEMY-CXAGYDPISA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[CH3;D1;+0:1])-[c:6]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[c:6] 4408f97d137a726e1ab3843c13949afd149d8ae22ca196aabdfd63f64c9b350a Br[CH2:8][C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7].[CH2:9]([CH2:10][c:11]1[cH:12][c:13]([Cl:14])[c:15]([NH2:16])[c:17]([C:18]([F:19])([F:20])[F:21])[cH:22]1)[C:23](=[O:24])[N:25]1[C:26](=[O:27])[O:28][CH2:29][C@H:30]1[CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.Cl.N.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][C@H:9]([CH2:10][c:11]1[cH:12][c:13]([Cl:14])[c:15]([NH2:16])[c:17]([C:18]([F:19])([F:20])[F:21])[cH:22]1)[C:23](=[O:24])[N:25]1[C:26](=[O:27])[O:28][CH2:29][C@H:30]1[CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1 BNWCETAHAJSBFG-UHFFFAOYSA-N.KLMPHKLLUOOEGB-CQSZACIVSA-N>>PUHFMESVTKTDHQ-ZWKOTPCHSA-N 0.0 Unrecognized False substrate controlled False [#7:9]-[C:10](=[O;D1;H0:11])-[C@@H;D3;+0:12](-[C:13])-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8]>>Br-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8].[#7:9]-[C:10](=[O;D1;H0:11])-[CH2;D2;+0:12]-[C:13] a722e3732220cc0dd3ad0db5e2d7ebdb7f98bc5cba08db31006e3b8456788b66 [O:1]=[C:2]([CH2:3][Br:4])[c:5]1[cH:6][cH:7][cH:8][n:9][cH:10]1>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CSSC.Cl>[OH:1][C@H:2]([CH2:3][Br:4])[c:5]1[cH:6][cH:7][cH:8][n:9][cH:10]1 IQMGXSROJBYCLS-UHFFFAOYSA-N>>WTFAEVUHAUTLEF-SSDOTTSWSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 59818681547a35b540f5f8f7dbade1077a9ae258660c4149c86b99538d1ed2c0 [O:1]=[C:2]([CH2:3][CH2:4][Cl:5])[c:6]1[cH:7][c:8]([Cl:9])[cH:10][c:11]([F:12])[cH:13]1>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CO.Cl>[OH:1][C@@H:2]([CH2:3][CH2:4][Cl:5])[c:6]1[cH:7][c:8]([Cl:9])[cH:10][c:11]([F:12])[cH:13]1 AOAADCFSBCADEP-UHFFFAOYSA-N>>OAAZQUGFVQODNQ-VIFPVBQESA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c Br[C@@H:7]1[O:6][C@H:5]([C:3]([O:2][CH3:1])=[O:4])[C@@H:27]([O:28][C:29]([CH3:30])=[O:31])[C@H:22]([O:23][C:24]([CH3:25])=[O:26])[C@H:17]1[O:18][C:19]([CH3:20])=[O:21].[OH:8][c:9]1[cH:10][cH:11][c:12]([CH:13]=[O:14])[cH:15][cH:16]1>>[CH3:1][O:2][C:3](=[O:4])[C@H:5]1[O:6][C@@H:7]([O:8][c:9]2[cH:10][cH:11][c:12]([CH:13]=[O:14])[cH:15][cH:16]2)[C@H:17]([O:18][C:19]([CH3:20])=[O:21])[C@@H:22]([O:23][C:24]([CH3:25])=[O:26])[C@@H:27]1[O:28][C:29]([CH3:30])=[O:31] GWTNLHGTLIBHHZ-HHHUOAJASA-N.RGHHSNMVTDWUBI-UHFFFAOYSA-N>>JKTPLNRSCRLVBF-KVIJGQROSA-N 0.0 Unrecognized False stereospecific False [#8:2]-[C@@H;D3;+0:1](-[O;H0;D2;+0:13]-[c:14])-[C:3](-[#8:4]-[C:5](-[C;D1;H3:6])=[O;D1;H0:7])-[C:8]-[#8:9]-[C:10](-[C;D1;H3:11])=[O;D1;H0:12]>>Br-[C@H;D3;+0:1](-[#8:2])-[C:3](-[#8:4]-[C:5](-[C;D1;H3:6])=[O;D1;H0:7])-[C:8]-[#8:9]-[C:10](-[C;D1;H3:11])=[O;D1;H0:12].[OH;D1;+0:13]-[c:14] ed63ffb1f452003c0294c07f53bfd50fb89dec36391702e92262fd0302a11238 Br[C@@H:7]1[O:6][C@H:5]([C:3]([O:2][CH3:1])=[O:4])[C@@H:28]([O:29][C:30]([CH3:31])=[O:32])[C@H:23]([O:24][C:25]([CH3:26])=[O:27])[C@H:18]1[O:19][C:20]([CH3:21])=[O:22].[OH:8][c:9]1[c:10]([F:11])[cH:12][c:13]([CH:14]=[O:15])[cH:16][cH:17]1>>[CH3:1][O:2][C:3](=[O:4])[C@H:5]1[O:6][C@@H:7]([O:8][c:9]2[c:10]([F:11])[cH:12][c:13]([CH:14]=[O:15])[cH:16][cH:17]2)[C@H:18]([O:19][C:20]([CH3:21])=[O:22])[C@@H:23]([O:24][C:25]([CH3:26])=[O:27])[C@@H:28]1[O:29][C:30]([CH3:31])=[O:32] GWTNLHGTLIBHHZ-HHHUOAJASA-N.QSBHJTCAPWOIIE-UHFFFAOYSA-N>>BLZJTNKQBYWXHJ-KVIJGQROSA-N 0.0 Unrecognized False stereospecific False [#8:2]-[C@@H;D3;+0:1](-[O;H0;D2;+0:13]-[c:14])-[C:3](-[#8:4]-[C:5](-[C;D1;H3:6])=[O;D1;H0:7])-[C:8]-[#8:9]-[C:10](-[C;D1;H3:11])=[O;D1;H0:12]>>Br-[C@H;D3;+0:1](-[#8:2])-[C:3](-[#8:4]-[C:5](-[C;D1;H3:6])=[O;D1;H0:7])-[C:8]-[#8:9]-[C:10](-[C;D1;H3:11])=[O;D1;H0:12].[OH;D1;+0:13]-[c:14] ed63ffb1f452003c0294c07f53bfd50fb89dec36391702e92262fd0302a11238 [CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([C:9]([CH3:10])=[O:11])[cH:12][cH:13]1>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CO.CSC.Cc1ccccc1>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([C@H:9]([CH3:10])[OH:11])[cH:12][cH:13]1 QNTSFZXGLAHYLC-UHFFFAOYSA-N>>KAXLTAULVFFCNL-ZETCQYMHSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]1:[c:5]:[c:6]:[c:7](-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]):[c:12]:[c:13]:1>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4]1:[c:5]:[c:6]:[c:7](-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]):[c:12]:[c:13]:1 d01a8c2a652585c68b27cf7afb51e0f226b3584dc692dc384bdc3643d1930c8f I[CH3:1].[CH2:2]1[CH2:3][C@@H:4]([C@H:5]([CH2:6][c:7]2[cH:8][cH:9][c:10]([O:11][CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[cH:19][cH:20]2)[NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[O:29][C:30]1=[O:31]>C1CCOC1.CCC(=O)O.CN1CCCN(C)C1=O.C[Si](C)(C)N[Si](C)(C)C.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Li+]>[CH3:1][C@@H:2]1[CH2:3][C@@H:4]([C@H:5]([CH2:6][c:7]2[cH:8][cH:9][c:10]([O:11][CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[cH:19][cH:20]2)[NH:21][C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[O:29][C:30]1=[O:31] INQOMBQAUSQDDS-UHFFFAOYSA-N.VNWHKFGJRJWZCS-SFTDATJTSA-N>>YQYROEHWDBSWCC-WTNAPCKOSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C:3]1-[#8:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[CH3;D1;+0:1])-[C:8]-1>>I-[CH3;D1;+0:1].[C:2]-[C:3]1-[#8:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8]-1 a0232773ed6af598139386f4740639e73ee21eeadb57f264c3fcd32fc667b9f6 [NH2:1][c:2]1[c:3]2[c:9]([cH:10][cH:11][cH:12]1)[CH2:8][CH2:7][C:5](=[O:6])[CH2:4]2>CC(C)O.Cl[Ru]Cl.N[C@H]1c2ccccc2C[C@H]1O.[K+].O.c1ccccc1>[NH2:1][c:2]1[c:3]2[c:9]([cH:10][cH:11][cH:12]1)[CH2:8][CH2:7][C@@H:5]([OH:6])[CH2:4]2 JPHCRNPKJNUQDS-UHFFFAOYSA-N>>SSTODPPMEPQZQJ-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d Br[CH2:6][CH:3]([CH2:2][CH3:1])[CH2:4][CH3:5].[C:7]1([CH3:8])=[N:9][C@@H:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[CH2:17][O:18][C:19]1=[O:20]>C1CCOC1.CCOCC.CCOCC.FB(F)F.[Mg]>[CH3:1][CH2:2][CH:3]([CH2:4][CH3:5])[CH2:6][C@:7]1([CH3:8])[NH:9][C@@H:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[CH2:17][O:18][C:19]1=[O:20] DYSZWOYMQJTNEO-SNVBAGLBSA-N.KKGUMGWNFARLSL-UHFFFAOYSA-N>>VUBPRBKSLOORRN-WBVHZDCISA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@;H0;D4;+0:4]1(-[C;D1;H3:3])-[NH;D2;+0:5]-[C:6](-[c:7]2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2)-[C:13]-[#8:14]-[C:15]-1=[O;D1;H0:16]>>Br-[CH2;D2;+0:1]-[C:2].[C;D1;H3:3]-[C;H0;D3;+0:4]1=[N;H0;D2;+0:5]-[C:6](-[c:7]2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2)-[C:13]-[#8:14]-[C:15]-1=[O;D1;H0:16] 590880c3b091ac660d6763926162c7ea1da872d69e2cefb91c1c571280ace31e I[CH2:6][CH2:5][C:2]([CH3:1])([CH3:3])[CH3:4].[C:7]1([CH3:8])=[N:9][C@@H:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[CH2:17][O:18][C:19]1=[O:20]>C1CCOC1.CCOCC.[Mg]>[CH3:1][C:2]([CH3:3])([CH3:4])[CH2:5][CH2:6][C@:7]1([CH3:8])[NH:9][C@@H:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[CH2:17][O:18][C:19]1=[O:20] DYSZWOYMQJTNEO-SNVBAGLBSA-N.KNKFLSQIGYRZAQ-UHFFFAOYSA-N>>MTQAPYDZWHPLPZ-PBHICJAKSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@;H0;D4;+0:4]1(-[C;D1;H3:3])-[NH;D2;+0:5]-[C:6](-[c:7]2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2)-[C:13]-[#8:14]-[C:15]-1=[O;D1;H0:16]>>I-[CH2;D2;+0:1]-[C:2].[C;D1;H3:3]-[C;H0;D3;+0:4]1=[N;H0;D2;+0:5]-[C:6](-[c:7]2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2)-[C:13]-[#8:14]-[C:15]-1=[O;D1;H0:16] 23d9b7866af18a7e1b667f44f088bc71d23392ba066df1e27092a01d1cd68428 I[CH2:3][CH:4]1[CH2:5][CH2:6][CH2:7][CH2:8]1.[CH3:1][C:2]1=[N:9][C@@H:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[CH2:17][O:18][C:19]1=[O:20]>>[CH3:1][C@@:2]1([CH2:3][CH:4]2[CH2:5][CH2:6][CH2:7][CH2:8]2)[NH:9][C@@H:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[CH2:17][O:18][C:19]1=[O:20] DUMSKQUKLVSSII-UHFFFAOYSA-N.DYSZWOYMQJTNEO-SNVBAGLBSA-N>>NWJMMPLUPRXDKK-WBVHZDCISA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@;H0;D4;+0:4]1(-[C;D1;H3:3])-[NH;D2;+0:5]-[C:6](-[c:7]2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2)-[C:13]-[#8:14]-[C:15]-1=[O;D1;H0:16]>>I-[CH2;D2;+0:1]-[C:2].[C;D1;H3:3]-[C;H0;D3;+0:4]1=[N;H0;D2;+0:5]-[C:6](-[c:7]2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2)-[C:13]-[#8:14]-[C:15]-1=[O;D1;H0:16] 23d9b7866af18a7e1b667f44f088bc71d23392ba066df1e27092a01d1cd68428 Br[CH2:7][CH2:6][CH:3]([CH2:2][CH3:1])[CH2:4][CH3:5].[C:8]1([CH3:9])=[N:10][C@@H:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH2:18][O:19][C:20]1=[O:21]>>[CH3:1][CH2:2][CH:3]([CH2:4][CH3:5])[CH2:6][CH2:7][C@:8]1([CH3:9])[NH:10][C@@H:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH2:18][O:19][C:20]1=[O:21] DYSZWOYMQJTNEO-SNVBAGLBSA-N.XNRMWPQRKZTIGI-UHFFFAOYSA-N>>NASNEFQXPOULDZ-AEFFLSMTSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@;H0;D4;+0:4]1(-[C;D1;H3:3])-[NH;D2;+0:5]-[C:6](-[c:7]2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2)-[C:13]-[#8:14]-[C:15]-1=[O;D1;H0:16]>>Br-[CH2;D2;+0:1]-[C:2].[C;D1;H3:3]-[C;H0;D3;+0:4]1=[N;H0;D2;+0:5]-[C:6](-[c:7]2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2)-[C:13]-[#8:14]-[C:15]-1=[O;D1;H0:16] 590880c3b091ac660d6763926162c7ea1da872d69e2cefb91c1c571280ace31e Br[CH2:3][CH:4]1[CH2:5][CH2:6][CH2:7]1.[CH3:1][C:2]1=[N:8][C@@H:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:16][O:17][C:18]1=[O:19]>>[CH3:1][C@@:2]1([CH2:3][CH:4]2[CH2:5][CH2:6][CH2:7]2)[NH:8][C@@H:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:16][O:17][C:18]1=[O:19] DYSZWOYMQJTNEO-SNVBAGLBSA-N.FLHFTXCMKFVKRP-UHFFFAOYSA-N>>SIRJZHCBDBOVGR-ZBFHGGJFSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@;H0;D4;+0:4]1(-[C;D1;H3:3])-[NH;D2;+0:5]-[C:6](-[c:7]2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2)-[C:13]-[#8:14]-[C:15]-1=[O;D1;H0:16]>>Br-[CH2;D2;+0:1]-[C:2].[C;D1;H3:3]-[C;H0;D3;+0:4]1=[N;H0;D2;+0:5]-[C:6](-[c:7]2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2)-[C:13]-[#8:14]-[C:15]-1=[O;D1;H0:16] 590880c3b091ac660d6763926162c7ea1da872d69e2cefb91c1c571280ace31e I[CH2:5][C@H:3]([CH2:2][CH3:1])[CH3:4].[C:6]1([CH3:7])=[N:8][C@@H:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:16][O:17][C:18]1=[O:19]>>[CH3:1][CH2:2][C@H:3]([CH3:4])[CH2:5][C@:6]1([CH3:7])[NH:8][C@@H:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:16][O:17][C:18]1=[O:19] DYSZWOYMQJTNEO-SNVBAGLBSA-N.RHBHXHXNWHTGSO-YFKPBYRVSA-N>>AOOBCJATGUFRDV-BJJXKVORSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@;H0;D4;+0:4]1(-[C;D1;H3:3])-[NH;D2;+0:5]-[C:6](-[c:7]2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2)-[C:13]-[#8:14]-[C:15]-1=[O;D1;H0:16]>>I-[CH2;D2;+0:1]-[C:2].[C;D1;H3:3]-[C;H0;D3;+0:4]1=[N;H0;D2;+0:5]-[C:6](-[c:7]2:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:2)-[C:13]-[#8:14]-[C:15]-1=[O;D1;H0:16] 23d9b7866af18a7e1b667f44f088bc71d23392ba066df1e27092a01d1cd68428 [O:1]=[C:2]([CH2:3][Br:4])[c:5]1[cH:6][cH:7][cH:8][n:9][cH:10]1>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CSSC.Cl>[OH:1][C@H:2]([CH2:3][Br:4])[c:5]1[cH:6][cH:7][cH:8][n:9][cH:10]1 IQMGXSROJBYCLS-UHFFFAOYSA-N>>WTFAEVUHAUTLEF-SSDOTTSWSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 8195ad48987c12d459870b75bedef46a37480b4c6c44771b180631aa2774a53a [O:1]=[C:2]([CH2:3][CH2:4][Cl:5])[c:6]1[cH:7][c:8]([Cl:9])[cH:10][c:11]([F:12])[cH:13]1>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CO.Cl>[OH:1][C@@H:2]([CH2:3][CH2:4][Cl:5])[c:6]1[cH:7][c:8]([Cl:9])[cH:10][c:11]([F:12])[cH:13]1 AOAADCFSBCADEP-UHFFFAOYSA-N>>OAAZQUGFVQODNQ-VIFPVBQESA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([C:9]([CH3:10])=[O:11])[cH:12][cH:13]1>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CO.CSC.Cc1ccccc1>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([C@H:9]([CH3:10])[OH:11])[cH:12][cH:13]1 QNTSFZXGLAHYLC-UHFFFAOYSA-N>>KAXLTAULVFFCNL-ZETCQYMHSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]1:[c:5]:[c:6]:[c:7](-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]):[c:12]:[c:13]:1>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4]1:[c:5]:[c:6]:[c:7](-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]):[c:12]:[c:13]:1 4cff05ad9f13a4baf2032af4380be596a7085da0a729612a6221054140cb3120 [NH2:1][c:2]1[c:3]2[c:9]([cH:10][cH:11][cH:12]1)[CH2:8][CH2:7][C:5](=[O:6])[CH2:4]2>CC(C)O.Cl[Ru]Cl.N[C@H]1c2ccccc2C[C@H]1O.[K+].O.c1ccccc1>[NH2:1][c:2]1[c:3]2[c:9]([cH:10][cH:11][cH:12]1)[CH2:8][CH2:7][C@@H:5]([OH:6])[CH2:4]2 JPHCRNPKJNUQDS-UHFFFAOYSA-N>>SSTODPPMEPQZQJ-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 O=P(c1ccccc1)(c1ccccc1)[N:3]=[N+:2]=[N-:1].O[C@@H:4]1[CH2:5][C@H:6]([c:7]2[cH:8][nH:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]23)[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]21>C1CCC2=NCCCN2CC1.C1CCOC1.O>[N-:1]=[N+:2]=[N:3][C@H:4]1[CH2:5][C@H:6]([c:7]2[cH:8][nH:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]23)[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]21 FKXLSNRCNSDVTH-WMLDXEAASA-N.MKRTXPORKIRPDG-UHFFFAOYSA-N>>BLLONDGUDDXCAV-YOEHRIQHSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[c:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@H;D3;+0:1](-[C:2])-[c:3].O=P(-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6])(-c1:c:c:c:c:c:1)-c1:c:c:c:c:c:1 4eb382a86b030c7b24b48197fbe85900b55c4d618bc4c8be93912d86772920a2 CS(=O)(=O)O[C@H:10]1[CH2:11][CH2:12][N:13]([CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:21]1.[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6]2[cH:7][c:8]([OH:9])[cH:22][cH:23][c:24]12>>[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6]2[cH:7][c:8]([O:9][C@@H:10]3[CH2:11][CH2:12][N:13]([CH2:14][c:15]4[cH:16][cH:17][cH:18][cH:19][cH:20]4)[CH2:21]3)[cH:22][cH:23][c:24]12 NZIDTDIDEPGKHB-LBPRGKRZSA-N.WVOKQMPGWAHMLS-UHFFFAOYSA-N>>YWBLXKVJWHUWQO-GOSISDBHSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:5]-[c:6]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[OH;D1;+0:5]-[c:6] 19a4b42d8caf5b0d7d6ea0f94ee317486f2e3e5dc9494a71c172404a23cb03ec [CH3:1][C:2](=[O:3])[c:4]1[cH:5][c:6]([F:7])[c:8]([F:9])[c:10]([F:11])[cH:12]1>C1CCOC1.C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C>[CH3:1][C@@H:2]([OH:3])[c:4]1[cH:5][c:6]([F:7])[c:8]([F:9])[c:10]([F:11])[cH:12]1 KXVIYAHOUAMVJX-UHFFFAOYSA-N>>NAYLCQZIPKCMBT-SCSAIBSYSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 CC(C)(C)OC(=O)[NH:19][C@@H:5]([C:3]([O:2][CH3:1])=[O:4])[CH2:6][CH2:7][CH2:8][C:9](=O)[c:10]1[cH:11][c:12]([F:13])[c:14]([F:15])[c:16]([F:17])[cH:18]1>CCOC(C)=O.Cl>[CH3:1][O:2][C:3](=[O:4])[C@H:5]1[CH2:6][CH2:7][CH2:8][C@@H:9]([c:10]2[cH:11][c:12]([F:13])[c:14]([F:15])[c:16]([F:17])[cH:18]2)[NH:19]1 CJJUKSLYZUBPFK-CYBMUJFWSA-N>>FOXVGDNFCLYBST-WDEREUQCSA-N 0.0 Unrecognized True substrate controlled False [C@@H;D3;+0:2]1-[CH2;D2;+0:3]-[CH2;D2;+0:4]-[CH2;D2;+0:5]-[C@@H;D3;+0:6]-[NH;D2;+0:1]-1>>C-C(-C)(-C)-O-C(=O)-[NH;D2;+0:1]-[C@@H;D3;+0:2]-[CH2;D2;+0:3]-[CH2;D2;+0:4]-[CH2;D2;+0:5]-[C;H0;D3;+0:6]=O 06ed9b4a55fbb7ba00ff42f1274f30f35f3e1e4929e37ed44cba91df49d93f31 CC(C)(C)OC(=O)[NH:18][C@@H:5]([C:3]([O:2][CH3:1])=[O:4])[CH2:6][CH2:7][CH2:8][C:9](=O)[c:10]1[cH:11][c:12]([F:13])[c:14]([F:15])[cH:16][cH:17]1>CCOC(C)=O.Cl>[CH3:1][O:2][C:3](=[O:4])[C@H:5]1[CH2:6][CH2:7][CH2:8][C@@H:9]([c:10]2[cH:11][c:12]([F:13])[c:14]([F:15])[cH:16][cH:17]2)[NH:18]1 TYQAUHUGCQINGJ-CQSZACIVSA-N>>IWKYXRIHFNKTNO-NWDGAFQWSA-N 0.0 Unrecognized True substrate controlled False [C@@H;D3;+0:2]1-[CH2;D2;+0:3]-[CH2;D2;+0:4]-[CH2;D2;+0:5]-[C@@H;D3;+0:6]-[NH;D2;+0:1]-1>>C-C(-C)(-C)-O-C(=O)-[NH;D2;+0:1]-[C@@H;D3;+0:2]-[CH2;D2;+0:3]-[CH2;D2;+0:4]-[CH2;D2;+0:5]-[C;H0;D3;+0:6]=O 06ed9b4a55fbb7ba00ff42f1274f30f35f3e1e4929e37ed44cba91df49d93f31 [CH3:1][C:2](=[O:3])[c:4]1[cH:5][c:6]([Cl:7])[n:8][cH:9][cH:10]1>C1CCOC1.C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C>[CH3:1][C@@H:2]([OH:3])[c:4]1[cH:5][c:6]([Cl:7])[n:8][cH:9][cH:10]1 ZJCGPQZERFBGSM-UHFFFAOYSA-N>>JVKWVFDRUADQGB-RXMQYKEDSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 CC(C)(C)OC(=O)[NH:19][C@@H:6]([C:4]([O:3][CH2:2][CH3:1])=[O:5])[CH2:7][CH2:8][C:9](=O)[c:10]1[cH:11][c:12]([F:13])[c:14]([F:15])[c:16]([F:17])[cH:18]1>CCOC(C)=O.Cl>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]1[CH2:7][CH2:8][C@@H:9]([c:10]2[cH:11][c:12]([F:13])[c:14]([F:15])[c:16]([F:17])[cH:18]2)[NH:19]1 YNHVZEBBEODKAH-CYBMUJFWSA-N>>BDORKRWRJZJNCK-WDEREUQCSA-N 0.0 Unrecognized True substrate controlled False [C@@H;D3;+0:2]1-[CH2;D2;+0:3]-[CH2;D2;+0:4]-[C@@H;D3;+0:5]-[NH;D2;+0:1]-1>>C-C(-C)(-C)-O-C(=O)-[NH;D2;+0:1]-[C@@H;D3;+0:2]-[CH2;D2;+0:3]-[CH2;D2;+0:4]-[C;H0;D3;+0:5]=O dbf58f4f914c0028d39f46940fdb28359262d33a6e40bc1e63ccd6536fdc66bd CC(C)(C)OC(=O)[NH:17][C@@H:5]([C:3]([O:2][CH3:1])=[O:4])[CH2:6][CH2:7][CH2:8][C:9](=O)[c:10]1[cH:11][cH:12][c:13]([Cl:14])[cH:15][cH:16]1>CCOC(C)=O.Cl>[CH3:1][O:2][C:3](=[O:4])[C@H:5]1[CH2:6][CH2:7][CH2:8][C@@H:9]([c:10]2[cH:11][cH:12][c:13]([Cl:14])[cH:15][cH:16]2)[NH:17]1 FGNACGXRLNLFBZ-CQSZACIVSA-N>>LSTHGYZOPVYRRA-NWDGAFQWSA-N 0.0 Unrecognized True substrate controlled False [C@@H;D3;+0:2]1-[CH2;D2;+0:3]-[CH2;D2;+0:4]-[CH2;D2;+0:5]-[C@@H;D3;+0:6]-[NH;D2;+0:1]-1>>C-C(-C)(-C)-O-C(=O)-[NH;D2;+0:1]-[C@@H;D3;+0:2]-[CH2;D2;+0:3]-[CH2;D2;+0:4]-[CH2;D2;+0:5]-[C;H0;D3;+0:6]=O 06ed9b4a55fbb7ba00ff42f1274f30f35f3e1e4929e37ed44cba91df49d93f31 [CH2:17]([CH2:18][c:19]1[cH:20][c:21]([F:22])[cH:23][c:24]([F:25])[cH:26]1)[N+:27](=[O:28])[O-:29].[CH3:1][O:2][c:3]1[c:4]2[c:31]([c:32]([Br:33])[cH:34][cH:35]1)[CH2:30][C@H:14]([CH:15]=[O:16])[N:6]([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:5]2>C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.CCOC(C)=O.O.Cl.F.[Na+]>[CH3:1][O:2][c:3]1[c:4]2[c:31]([c:32]([Br:33])[cH:34][cH:35]1)[CH2:30][C@H:14]([C@@H:15]([OH:16])[C@H:17]([CH2:18][c:19]1[cH:20][c:21]([F:22])[cH:23][c:24]([F:25])[cH:26]1)[N+:27](=[O:28])[O-:29])[N:6]([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:5]2 DRDHCHPAVSCMOG-SNVBAGLBSA-N.NHYKRPUCZZZNSG-UHFFFAOYSA-N>>GFGUGYVETXHGFU-RZUBCFFCSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5]-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[C@@H;D3;+0:2](-[#7;+:1])-[C:3]>>[#7;+:1]-[CH2;D2;+0:2]-[C:3].[#7:4]-[C:5]-[CH;D2;+0:6]=[O;H0;D1;+0:7] 8e7812093e5f103e4cb6b1bbe7a4e254841911f87090f8806f4b2564d8e032f1 O=[C:8]1[CH:3]([O:2][CH3:1])[CH2:4][O:5][CH2:6][CH2:7]1.[NH2:9][C@@H:10]1[CH2:11][CH2:12][C@@:13]([C:14](=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([c:20]3[n:21][cH:22][cH:23][c:24]([C:25]([F:26])([F:27])[F:28])[cH:29]3)[CH2:30][CH2:31]2)([C@H:32]2[CH2:33][CH2:34][O:35][CH2:36]2)[CH2:37]1>CC(=O)OB(OC(C)=O)OC(C)=O.CCN(CC)CC.Cl.Cl.ClCCl.[Na+]>[CH3:1][O:2][CH:3]1[CH2:4][O:5][CH2:6][CH2:7][C@H:8]1[NH:9][C@@H:10]1[CH2:11][CH2:12][C@@:13]([C:14](=[O:15])[N:16]2[CH2:17][CH2:18][N:19]([c:20]3[n:21][cH:22][cH:23][c:24]([C:25]([F:26])([F:27])[F:28])[cH:29]3)[CH2:30][CH2:31]2)([C@H:32]2[CH2:33][CH2:34][O:35][CH2:36]2)[CH2:37]1 QVARAAOQRJYNRO-FCEWJHQRSA-N.YMJJPBWCARDMCG-UHFFFAOYSA-N>>LGKYDMFQLBZHJX-MGDOOXSOSA-N 0.0 Unrecognized False substrate controlled False [C:4]-[NH;D2;+0:5]-[C@@H;D3;+0:1](-[C:2])-[C:3]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[C:4]-[NH2;D1;+0:5] a8e56c9c6336cfc3fc1d08acd8bbc81ff9882c9f18f2ba601555112e48f8efac O=[C:9]1[CH2:8][CH2:7][C@@H:6]([C:4]([O:3][CH2:2][CH3:1])=[O:5])[CH2:21][C@@H:19]1[F:20].[NH2:10][C@H:11]([CH3:12])[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1>CC(=O)O.CC(=O)OB(OC(C)=O)OC(C)=O.CC(Cl)Cl.CO.ClCCl.N.[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]1[CH2:7][CH2:8][C@@H:9]([NH:10][C@H:11]([CH3:12])[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[C@@H:19]([F:20])[CH2:21]1 RQEUFEKYXDPUSK-SSDOTTSWSA-N.UNBKJAYBXIHEBK-RQJHMYQMSA-N>>QBXCKBMORPBKMK-DMRZNYOFSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 e2359fb816f6bae4d842f90c85938e1b4e834430a7315ba854d2d2cb224bedee I[CH3:1].[CH2:2]1[CH2:3][CH2:4][C@@H:5]([c:6]2[cH:7][c:8]([F:9])[cH:10][c:11]([F:12])[cH:13]2)[N:14]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[C:22]1=[O:23]>C1CCOC1.COCCOC.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[CH3:1][C@@H:2]1[CH2:3][CH2:4][C@@H:5]([c:6]2[cH:7][c:8]([F:9])[cH:10][c:11]([F:12])[cH:13]2)[N:14]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[C:22]1=[O:23] INQOMBQAUSQDDS-UHFFFAOYSA-N.NGRPNTACOHZOAX-ZDUSSCGKSA-N>>MPQZPGYMNMDTHL-YGRLFVJLSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[C:6])-[CH3;D1;+0:1]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[C:6] ca1f6858c2397350d90e61899db160ccc8e0bb6d6e21e9a85751a6d6be5df360 [CH3:1][C:2](=[O:3])[c:4]1[cH:5][c:6]([F:7])[c:8]([F:9])[c:10]([F:11])[cH:12]1>C1CCOC1.C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C>[CH3:1][C@@H:2]([OH:3])[c:4]1[cH:5][c:6]([F:7])[c:8]([F:9])[c:10]([F:11])[cH:12]1 KXVIYAHOUAMVJX-UHFFFAOYSA-N>>NAYLCQZIPKCMBT-SCSAIBSYSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][C:2](=[O:3])[c:4]1[cH:5][c:6]([Cl:7])[n:8][cH:9][cH:10]1>C1CCOC1.C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C>[CH3:1][C@@H:2]([OH:3])[c:4]1[cH:5][c:6]([Cl:7])[n:8][cH:9][cH:10]1 ZJCGPQZERFBGSM-UHFFFAOYSA-N>>JVKWVFDRUADQGB-RXMQYKEDSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c O=[C:7]1[CH2:6][C@@H:5]([NH:4][C:2]([CH3:1])=[O:3])[C@@H:15]([N:16]2[CH2:17][CH2:18][C@H:19]([NH:20][C:21](=[O:22])[O:23][CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[C:31]2=[O:32])[CH2:14][CH2:13]1.[NH2:8][C:9]([CH3:10])([CH3:11])[CH3:12]>CC(C)O[Ti](OC(C)C)(OC(C)C)OC(C)C.CC(C)O[Ti](OC(C)C)(OC(C)C)OC(C)C.CSC.ClCCl.Cl[Ti](Cl)(Cl)Cl.Cl[Ti](Cl)(Cl)Cl>[CH3:1][C:2](=[O:3])[NH:4][C@@H:5]1[CH2:6][C@H:7]([NH:8][C:9]([CH3:10])([CH3:11])[CH3:12])[CH2:13][CH2:14][C@@H:15]1[N:16]1[CH2:17][CH2:18][C@H:19]([NH:20][C:21](=[O:22])[O:23][CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[C:31]1=[O:32] SMNXAWRUWOVBCA-KSZLIROESA-N.YBRBMKDOPFTVDT-UHFFFAOYSA-N>>WSQZTAMFFALGTG-MHTWAQMVSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:1](-[C:3])-[NH;D2;+0:5]-[C:4]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[C:4]-[NH2;D1;+0:5] c2454aeb328665781ecf13b70416538e76f18f1493bca8d1b83cab39de9515bc CC[O:18][C:16]([C@H:14](OS(=O)(=O)C(F)(F)F)[CH3:15])=[O:17].[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][CH2:7][CH2:8][N:9]2[CH2:10][CH2:11][CH2:12][CH2:13]2)[cH:19][c:20]2[c:21]([cH:22]1)[n:23][cH:24][n:25][c:26]2[NH:27][c:28]1[c:29]([F:30])[c:31]([Cl:32])[cH:33][cH:34][cH:35]1>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][N:6]([CH2:7][CH2:8][N:9]2[CH2:10][CH2:11][CH2:12][CH2:13]2)[C@@H:14]([CH3:15])[C:16](=[O:17])[OH:18])[cH:19][c:20]2[c:21]([cH:22]1)[n:23][cH:24][n:25][c:26]2[NH:27][c:28]1[c:29]([F:30])[c:31]([Cl:32])[cH:33][cH:34][cH:35]1 RYSBPHXTNVWICH-SCSAIBSYSA-N.UUUXYEKKONZZPG-UHFFFAOYSA-N>>ZBDCWEMPBFVUET-INIZCTEOSA-N 0.0 Unrecognized False stereospecific False [C:6]-[N;H0;D3;+0:7](-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[C@@H;D3;+0:4](-[C;D1;H3:5])-[C:2](=[O;D1;H0:3])-[OH;D1;+0:1]>>C-C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[C@@H;D3;+0:4](-[C;D1;H3:5])-O-S(=O)(=O)-C(-F)(-F)-F.[C:6]-[NH;D2;+0:7]-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1 c87b8e78c5e5a31c427b43ad08503f9fd4cfe1f7a702ca970caab662ea15c9b7 CC[O:18][C:16]([C@@H:14](OS(=O)(=O)C(F)(F)F)[CH3:15])=[O:17].[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][CH2:7][CH2:8][N:9]2[CH2:10][CH2:11][CH2:12][CH2:13]2)[cH:19][c:20]2[c:21]([cH:22]1)[n:23][cH:24][n:25][c:26]2[NH:27][c:28]1[c:29]([F:30])[c:31]([Cl:32])[cH:33][cH:34][cH:35]1>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][N:6]([CH2:7][CH2:8][N:9]2[CH2:10][CH2:11][CH2:12][CH2:13]2)[C@H:14]([CH3:15])[C:16](=[O:17])[OH:18])[cH:19][c:20]2[c:21]([cH:22]1)[n:23][cH:24][n:25][c:26]2[NH:27][c:28]1[c:29]([F:30])[c:31]([Cl:32])[cH:33][cH:34][cH:35]1 RYSBPHXTNVWICH-BYPYZUCNSA-N.UUUXYEKKONZZPG-UHFFFAOYSA-N>>ZBDCWEMPBFVUET-MRXNPFEDSA-N 0.0 Unrecognized False stereospecific False [C:6]-[N;H0;D3;+0:7](-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[C@H;D3;+0:4](-[C;D1;H3:5])-[C:2](=[O;D1;H0:3])-[OH;D1;+0:1]>>C-C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[C@H;D3;+0:4](-[C;D1;H3:5])-O-S(=O)(=O)-C(-F)(-F)-F.[C:6]-[NH;D2;+0:7]-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1 b7f3e7eb14f3a87f2cdabd9dcb26985d4282b56d23c4e7607572cceb05d58a02 CC[O:16][C:14]([C@H:12](OS(=O)(=O)C(F)(F)F)[CH3:13])=[O:15].[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][CH2:7][CH2:8][N:9]([CH3:10])[CH3:11])[cH:17][c:18]2[c:19]([cH:20]1)[n:21][cH:22][n:23][c:24]2[NH:25][c:26]1[c:27]([F:28])[c:29]([Cl:30])[cH:31][cH:32][cH:33]1>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][N:6]([CH2:7][CH2:8][N:9]([CH3:10])[CH3:11])[C@@H:12]([CH3:13])[C:14](=[O:15])[OH:16])[cH:17][c:18]2[c:19]([cH:20]1)[n:21][cH:22][n:23][c:24]2[NH:25][c:26]1[c:27]([F:28])[c:29]([Cl:30])[cH:31][cH:32][cH:33]1 RYSBPHXTNVWICH-SCSAIBSYSA-N.SPVKTNBNRQGAQC-UHFFFAOYSA-N>>NULPSTFSBGPABY-AWEZNQCLSA-N 0.0 Unrecognized False stereospecific False [C:6]-[N;H0;D3;+0:7](-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[C@@H;D3;+0:4](-[C;D1;H3:5])-[C:2](=[O;D1;H0:3])-[OH;D1;+0:1]>>C-C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[C@@H;D3;+0:4](-[C;D1;H3:5])-O-S(=O)(=O)-C(-F)(-F)-F.[C:6]-[NH;D2;+0:7]-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1 c87b8e78c5e5a31c427b43ad08503f9fd4cfe1f7a702ca970caab662ea15c9b7 CC[O:32][C:30]([C@H:28](OS(=O)(=O)C(F)(F)F)[CH3:29])=[O:31].[CH3:1][O:2][CH2:3][CH2:4][NH:5][CH2:6][c:7]1[c:8]([O:9][CH3:10])[cH:11][c:12]2[n:13][cH:14][n:15][c:16]([NH:17][c:18]3[c:19]([F:20])[c:21]([Cl:22])[cH:23][cH:24][cH:25]3)[c:26]2[cH:27]1>>[CH3:1][O:2][CH2:3][CH2:4][N:5]([CH2:6][c:7]1[c:8]([O:9][CH3:10])[cH:11][c:12]2[n:13][cH:14][n:15][c:16]([NH:17][c:18]3[c:19]([F:20])[c:21]([Cl:22])[cH:23][cH:24][cH:25]3)[c:26]2[cH:27]1)[C@@H:28]([CH3:29])[C:30](=[O:31])[OH:32] MJBVBJMGRTYLPM-UHFFFAOYSA-N.RYSBPHXTNVWICH-SCSAIBSYSA-N>>YHLUFKKYOPAOQF-ZDUSSCGKSA-N 0.0 Unrecognized False stereospecific False [C:6]-[N;H0;D3;+0:7](-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[C@@H;D3;+0:4](-[C;D1;H3:5])-[C:2](=[O;D1;H0:3])-[OH;D1;+0:1]>>C-C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[C@@H;D3;+0:4](-[C;D1;H3:5])-O-S(=O)(=O)-C(-F)(-F)-F.[C:6]-[NH;D2;+0:7]-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1 c87b8e78c5e5a31c427b43ad08503f9fd4cfe1f7a702ca970caab662ea15c9b7 CC[O:32][C:30]([C@@H:28](OS(=O)(=O)C(F)(F)F)[CH3:29])=[O:31].[CH3:1][O:2][CH2:3][CH2:4][NH:5][CH2:6][c:7]1[c:8]([O:9][CH3:10])[cH:11][c:12]2[n:13][cH:14][n:15][c:16]([NH:17][c:18]3[c:19]([F:20])[c:21]([Cl:22])[cH:23][cH:24][cH:25]3)[c:26]2[cH:27]1>>[CH3:1][O:2][CH2:3][CH2:4][N:5]([CH2:6][c:7]1[c:8]([O:9][CH3:10])[cH:11][c:12]2[n:13][cH:14][n:15][c:16]([NH:17][c:18]3[c:19]([F:20])[c:21]([Cl:22])[cH:23][cH:24][cH:25]3)[c:26]2[cH:27]1)[C@H:28]([CH3:29])[C:30](=[O:31])[OH:32] MJBVBJMGRTYLPM-UHFFFAOYSA-N.RYSBPHXTNVWICH-BYPYZUCNSA-N>>YHLUFKKYOPAOQF-CYBMUJFWSA-N 0.0 Unrecognized False stereospecific False [C:6]-[N;H0;D3;+0:7](-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[C@H;D3;+0:4](-[C;D1;H3:5])-[C:2](=[O;D1;H0:3])-[OH;D1;+0:1]>>C-C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[C@H;D3;+0:4](-[C;D1;H3:5])-O-S(=O)(=O)-C(-F)(-F)-F.[C:6]-[NH;D2;+0:7]-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1 b7f3e7eb14f3a87f2cdabd9dcb26985d4282b56d23c4e7607572cceb05d58a02 CC[O:33][C:31]([C@@H:29](OS(=O)(=O)C(F)(F)F)[CH3:30])=[O:32].[CH3:1][O:2][CH2:3][C@H:4]([CH3:5])[NH:6][CH2:7][c:8]1[c:9]([O:10][CH3:11])[cH:12][c:13]2[n:14][cH:15][n:16][c:17]([NH:18][c:19]3[c:20]([F:21])[c:22]([Cl:23])[cH:24][cH:25][cH:26]3)[c:27]2[cH:28]1>>[CH3:1][O:2][CH2:3][C@H:4]([CH3:5])[N:6]([CH2:7][c:8]1[c:9]([O:10][CH3:11])[cH:12][c:13]2[n:14][cH:15][n:16][c:17]([NH:18][c:19]3[c:20]([F:21])[c:22]([Cl:23])[cH:24][cH:25][cH:26]3)[c:27]2[cH:28]1)[C@H:29]([CH3:30])[C:31](=[O:32])[OH:33] RYSBPHXTNVWICH-BYPYZUCNSA-N.WKPVTMPDCHDTJW-LBPRGKRZSA-N>>FNZDBRRJTNHJAG-UONOGXRCSA-N 0.0 Unrecognized False stereospecific False [C:6]-[N;H0;D3;+0:7](-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[C@H;D3;+0:4](-[C;D1;H3:5])-[C:2](=[O;D1;H0:3])-[OH;D1;+0:1]>>C-C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[C@H;D3;+0:4](-[C;D1;H3:5])-O-S(=O)(=O)-C(-F)(-F)-F.[C:6]-[NH;D2;+0:7]-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1 b7f3e7eb14f3a87f2cdabd9dcb26985d4282b56d23c4e7607572cceb05d58a02 CC[O:33][C:31]([C@H:29](OS(=O)(=O)C(F)(F)F)[CH3:30])=[O:32].[CH3:1][O:2][CH2:3][C@H:4]([CH3:5])[NH:6][CH2:7][c:8]1[c:9]([O:10][CH3:11])[cH:12][c:13]2[n:14][cH:15][n:16][c:17]([NH:18][c:19]3[c:20]([F:21])[c:22]([Cl:23])[cH:24][cH:25][cH:26]3)[c:27]2[cH:28]1>>[CH3:1][O:2][CH2:3][C@H:4]([CH3:5])[N:6]([CH2:7][c:8]1[c:9]([O:10][CH3:11])[cH:12][c:13]2[n:14][cH:15][n:16][c:17]([NH:18][c:19]3[c:20]([F:21])[c:22]([Cl:23])[cH:24][cH:25][cH:26]3)[c:27]2[cH:28]1)[C@@H:29]([CH3:30])[C:31](=[O:32])[OH:33] RYSBPHXTNVWICH-SCSAIBSYSA-N.WKPVTMPDCHDTJW-LBPRGKRZSA-N>>FNZDBRRJTNHJAG-KBPBESRZSA-N 0.0 Unrecognized False stereospecific False [C:6]-[N;H0;D3;+0:7](-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[C@@H;D3;+0:4](-[C;D1;H3:5])-[C:2](=[O;D1;H0:3])-[OH;D1;+0:1]>>C-C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[C@@H;D3;+0:4](-[C;D1;H3:5])-O-S(=O)(=O)-C(-F)(-F)-F.[C:6]-[NH;D2;+0:7]-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1 c87b8e78c5e5a31c427b43ad08503f9fd4cfe1f7a702ca970caab662ea15c9b7 CC[O:30][C:28]([C@H:26](OS(=O)(=O)C(F)(F)F)[CH3:27])=[O:29].[CH3:1][CH2:2][NH:3][CH2:4][c:5]1[c:6]([O:7][CH3:8])[cH:9][c:10]2[n:11][cH:12][n:13][c:14]([NH:15][c:16]3[c:17]([F:18])[c:19]([Cl:20])[cH:21][cH:22][cH:23]3)[c:24]2[cH:25]1>>[CH3:1][CH2:2][N:3]([CH2:4][c:5]1[c:6]([O:7][CH3:8])[cH:9][c:10]2[n:11][cH:12][n:13][c:14]([NH:15][c:16]3[c:17]([F:18])[c:19]([Cl:20])[cH:21][cH:22][cH:23]3)[c:24]2[cH:25]1)[C@@H:26]([CH3:27])[C:28](=[O:29])[OH:30] BZTHKHBSYZDXKH-UHFFFAOYSA-N.RYSBPHXTNVWICH-SCSAIBSYSA-N>>RAOIDTBCIHLUEZ-LBPRGKRZSA-N 0.0 Unrecognized False stereospecific False [C:6]-[N;H0;D3;+0:7](-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[C@@H;D3;+0:4](-[C;D1;H3:5])-[C:2](=[O;D1;H0:3])-[OH;D1;+0:1]>>C-C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[C@@H;D3;+0:4](-[C;D1;H3:5])-O-S(=O)(=O)-C(-F)(-F)-F.[C:6]-[NH;D2;+0:7]-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1 c87b8e78c5e5a31c427b43ad08503f9fd4cfe1f7a702ca970caab662ea15c9b7 CC[O:14][C:12]([C@H:10](OS(=O)(=O)C(F)(F)F)[CH3:11])=[O:13].[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][CH:7]([CH3:8])[CH3:9])[cH:15][c:16]2[c:17]([cH:18]1)[n:19][cH:20][n:21][c:22]2[NH:23][c:24]1[c:25]([F:26])[c:27]([Cl:28])[cH:29][cH:30][cH:31]1>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][N:6]([CH:7]([CH3:8])[CH3:9])[C@@H:10]([CH3:11])[C:12](=[O:13])[OH:14])[cH:15][c:16]2[c:17]([cH:18]1)[n:19][cH:20][n:21][c:22]2[NH:23][c:24]1[c:25]([F:26])[c:27]([Cl:28])[cH:29][cH:30][cH:31]1 CSXPKKJJZQBRJG-UHFFFAOYSA-N.RYSBPHXTNVWICH-SCSAIBSYSA-N>>KPIGRPZFMNNBCP-ZDUSSCGKSA-N 0.0 Unrecognized False stereospecific False [C:6]-[N;H0;D3;+0:7](-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[C@@H;D3;+0:4](-[C;D1;H3:5])-[C:2](=[O;D1;H0:3])-[OH;D1;+0:1]>>C-C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[C@@H;D3;+0:4](-[C;D1;H3:5])-O-S(=O)(=O)-C(-F)(-F)-F.[C:6]-[NH;D2;+0:7]-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1 c87b8e78c5e5a31c427b43ad08503f9fd4cfe1f7a702ca970caab662ea15c9b7 CC[O:14][C:12]([C@@H:10](OS(=O)(=O)C(F)(F)F)[CH3:11])=[O:13].[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][CH:7]([CH3:8])[CH3:9])[cH:15][c:16]2[c:17]([cH:18]1)[n:19][cH:20][n:21][c:22]2[NH:23][c:24]1[c:25]([F:26])[c:27]([Cl:28])[cH:29][cH:30][cH:31]1>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][N:6]([CH:7]([CH3:8])[CH3:9])[C@H:10]([CH3:11])[C:12](=[O:13])[OH:14])[cH:15][c:16]2[c:17]([cH:18]1)[n:19][cH:20][n:21][c:22]2[NH:23][c:24]1[c:25]([F:26])[c:27]([Cl:28])[cH:29][cH:30][cH:31]1 CSXPKKJJZQBRJG-UHFFFAOYSA-N.RYSBPHXTNVWICH-BYPYZUCNSA-N>>KPIGRPZFMNNBCP-CYBMUJFWSA-N 0.0 Unrecognized False stereospecific False [C:6]-[N;H0;D3;+0:7](-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[C@H;D3;+0:4](-[C;D1;H3:5])-[C:2](=[O;D1;H0:3])-[OH;D1;+0:1]>>C-C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[C@H;D3;+0:4](-[C;D1;H3:5])-O-S(=O)(=O)-C(-F)(-F)-F.[C:6]-[NH;D2;+0:7]-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1 b7f3e7eb14f3a87f2cdabd9dcb26985d4282b56d23c4e7607572cceb05d58a02 O[C@H:4]([CH2:3][CH2:2][Cl:1])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[nH:11]1[cH:12][cH:13][c:14]2[n:15][cH:16][cH:17][cH:18][c:19]12>CO>[Cl:1][CH2:2][CH2:3][C@@H:4]([c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[n:11]1[cH:12][cH:13][c:14]2[n:15][cH:16][cH:17][cH:18][c:19]12 JZFUHAGLMZWKTF-SECBINFHSA-N.XWIYUCRMWCHYJR-UHFFFAOYSA-N>>ZDHDOPSZDLHVAX-HNNXBMFYSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[c:6]:[n;H0;D3;+0:7](:[c:8])-[C@@H;D3;+0:1](-[C:2])-[c:3]>>O-[C@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]:[c:6]:[nH;D2;+0:7]:[c:8] 49b985903a1950003e7ac135baa16b49150db057681af933e2a141c3ccdb7734 O[C@H:4]([CH2:3][CH2:2][Cl:1])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1.[nH:11]1[cH:12][cH:13][c:14]2[n:15][cH:16][cH:17][c:18]([Cl:19])[c:20]12>>[Cl:1][CH2:2][CH2:3][C@@H:4]([c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[n:11]1[cH:12][cH:13][c:14]2[n:15][cH:16][cH:17][c:18]([Cl:19])[c:20]12 JZFUHAGLMZWKTF-SECBINFHSA-N.ZBEYLQBHTDNDDR-UHFFFAOYSA-N>>ZVAUANYNDZPGKA-HNNXBMFYSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[c:6]:[n;H0;D3;+0:7](:[c:8])-[C@@H;D3;+0:1](-[C:2])-[c:3]>>O-[C@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]:[c:6]:[nH;D2;+0:7]:[c:8] 49b985903a1950003e7ac135baa16b49150db057681af933e2a141c3ccdb7734 O[C@H:12]([CH2:13][CH2:14][Cl:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[CH3:1][O:2][c:3]1[c:4]2[c:5]([n:6][cH:7][cH:8]1)[cH:9][cH:10][nH:11]2>ClC(Cl)Cl>[CH3:1][O:2][c:3]1[c:4]2[c:5]([n:6][cH:7][cH:8]1)[cH:9][cH:10][n:11]2[C@@H:12]([CH2:13][CH2:14][Cl:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1 JZFUHAGLMZWKTF-SECBINFHSA-N.QIJRLASLGKGDEG-UHFFFAOYSA-N>>NIOWKPJWJVGPGK-HNNXBMFYSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[c:6]:[n;H0;D3;+0:7](:[c:8])-[C@@H;D3;+0:1](-[C:2])-[c:3]>>O-[C@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]:[c:6]:[nH;D2;+0:7]:[c:8] 49b985903a1950003e7ac135baa16b49150db057681af933e2a141c3ccdb7734 [CH3:1][C@H:2]([NH:3][C:4](=[O:5])[O:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[C:14](=[O:15])[c:16]1[cH:17][c:18]([F:19])[cH:20][c:21]([F:22])[cH:23]1>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.Cl.[Li+]>[CH3:1][C@H:2]([NH:3][C:4](=[O:5])[O:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[C@@H:14]([OH:15])[c:16]1[cH:17][c:18]([F:19])[cH:20][c:21]([F:22])[cH:23]1 KIEQYMWYMPYJHB-NSHDSACASA-N>>WGZVHABVUILHHO-MEDUHNTESA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [O:1]=[C:2]([N:3]1[CH2:4][CH2:5][c:6]2[c:7]([cH:8][cH:9][c:10]3[c:11]2[CH2:12][CH2:13][CH2:14][C:15]3=[O:16])[CH2:17]1)[C:18]([F:19])([F:20])[F:21]>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CSC.Cc1ccccc1>[O:1]=[C:2]([N:3]1[CH2:4][CH2:5][c:6]2[c:7]([cH:8][cH:9][c:10]3[c:11]2[CH2:12][CH2:13][CH2:14][C@@H:15]3[OH:16])[CH2:17]1)[C:18]([F:19])([F:20])[F:21] REWWAHVCDZNZAQ-UHFFFAOYSA-N>>JRMAOKLIBFCIKX-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled False [#7:1]-[C:2]-[c:3]1:[c:4]:[c:5]:[c:6](-[C@H;D3;+0:7](-[C:8])-[OH;D1;+0:9]):[c:10]:[c:11]:1>>[#7:1]-[C:2]-[c:3]1:[c:4]:[c:5]:[c:6](-[C;H0;D3;+0:7](-[C:8])=[O;H0;D1;+0:9]):[c:10]:[c:11]:1 ba703f3b1183114519a2d0b99ba384bb3682c149940ad920f4f8fde69b171b85 [O:1]=[C:2]([N:3]1[CH2:4][CH2:5][c:6]2[cH:7][c:8]3[c:9]([cH:10][c:11]2[CH2:12]1)[CH2:13][CH2:14][CH2:15][C:16]3=[O:17])[C:18]([F:19])([F:20])[F:21]>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CSC.Cc1ccccc1>[O:1]=[C:2]([N:3]1[CH2:4][CH2:5][c:6]2[cH:7][c:8]3[c:9]([cH:10][c:11]2[CH2:12]1)[CH2:13][CH2:14][CH2:15][C@@H:16]3[OH:17])[C:18]([F:19])([F:20])[F:21] LERDCNLOLFNKFB-UHFFFAOYSA-N>>YEHFOIYHXPHDSP-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled False [#7:1]-[C:2]-[c:3]1:[c:4]:[c:5]:[c:6](-[C@H;D3;+0:7](-[C:8])-[OH;D1;+0:9]):[c:10]:[c:11]:1>>[#7:1]-[C:2]-[c:3]1:[c:4]:[c:5]:[c:6](-[C;H0;D3;+0:7](-[C:8])=[O;H0;D1;+0:9]):[c:10]:[c:11]:1 ba703f3b1183114519a2d0b99ba384bb3682c149940ad920f4f8fde69b171b85 [CH3:1][O:2][c:3]1[c:4]([F:5])[cH:6][cH:7][c:8]([C:9]([CH3:10])=[O:11])[cH:12]1>C1CCOC1.C[C@H]1[C@@H](B(Cl)[C@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C>[CH3:1][O:2][c:3]1[c:4]([F:5])[cH:6][cH:7][c:8]([C@@H:9]([CH3:10])[OH:11])[cH:12]1 PFEGFUCYOHBDJF-UHFFFAOYSA-N>>OGBGGCJKDXCBGP-ZCFIWIBFSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 O=[C:8]1[CH2:7][C@@H:6]([C:4]([O:3][CH2:2][CH3:1])=[O:5])[C@@H:16]([N:17]2[CH2:18][CH2:19][C@H:20]([NH:21][C:22](=[O:23])[O:24][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[C:32]2=[O:33])[CH2:15][CH2:14]1.[NH:9]([CH3:10])[CH:11]([CH3:12])[CH3:13]>CCCCCC.CO.CS(C)=O.ClCCl.B.[Na+].[Na+].O>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]1[CH2:7][C@H:8]([N:9]([CH3:10])[CH:11]([CH3:12])[CH3:13])[CH2:14][CH2:15][C@@H:16]1[N:17]1[CH2:18][CH2:19][C@H:20]([NH:21][C:22](=[O:23])[O:24][CH2:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[C:32]1=[O:33] GDQFIOFIGGHJKN-SQNIBIBYSA-N.XHFGWHUWQXTGAT-UHFFFAOYSA-N>>OOTXGFPJVOKSRB-CZYKHXBRSA-N 0.0 Unrecognized False substrate controlled False [C:4]-[N;H0;D3;+0:5](-[C;D1;H3:6])-[C@H;D3;+0:1](-[C:2])-[C:3]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[C:4]-[NH;D2;+0:5]-[C;D1;H3:6] 777903f37b47ae3e31ddb6d72eebb58bd121b42b4a901eba099bd4f3a499b2bc O=[C:6]1[CH2:7][CH2:8][C@H:9]([N:10]2[CH2:11][CH2:12][C@H:13]([NH:14][C:15](=[O:16])[O:17][CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[C:25]2=[O:26])[C@H:27]([NH:28][C:29](=[O:30])[O:31][CH2:32][CH2:33][Si:34]([CH3:35])([CH3:36])[CH3:37])[CH2:38]1.[CH3:1][C:2]([CH3:3])([CH3:4])[NH2:5]>CC(C)O.CC(C)O.CC(C)O.CC(C)O.CO.ClCCl.BC#N.[Na+].[Na+].O.[Ti+4]>[CH3:1][C:2]([CH3:3])([CH3:4])[NH:5][C@@H:6]1[CH2:7][CH2:8][C@H:9]([N:10]2[CH2:11][CH2:12][C@H:13]([NH:14][C:15](=[O:16])[O:17][CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[C:25]2=[O:26])[C@H:27]([NH:28][C:29](=[O:30])[O:31][CH2:32][CH2:33][Si:34]([CH3:35])([CH3:36])[CH3:37])[CH2:38]1 BYLKKEYPNGEHHL-HBMCJLEFSA-N.YBRBMKDOPFTVDT-UHFFFAOYSA-N>>KGDHVEYRYPFWOH-QPXUXIHVSA-N 0.0 Unrecognized False substrate controlled False [C:4]-[NH;D2;+0:5]-[C@H;D3;+0:1](-[C:2])-[C:3]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[C:4]-[NH2;D1;+0:5] c2454aeb328665781ecf13b70416538e76f18f1493bca8d1b83cab39de9515bc [CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[n:7][cH:8][cH:9][c:10]([C:11](=[O:12])[CH2:13][Br:14])[c:15]2[n:16]1>C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)C[C@@H]2C[C@@H]1C2(C)C.Cc1ccccc1.OCCNCCO>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[n:7][cH:8][cH:9][c:10]([C@@H:11]([OH:12])[CH2:13][Br:14])[c:15]2[n:16]1 NXXABUJSPNTJNK-UHFFFAOYSA-N>>CADQEVJCGCIBDZ-VIFPVBQESA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 8195ad48987c12d459870b75bedef46a37480b4c6c44771b180631aa2774a53a N[C@H:10]([CH2:9][c:8]1[cH:7][c:4]([CH2:5][CH3:6])[c:3]([CH2:2][CH3:1])[cH:16][cH:15]1)[C:12](=[O:13])[OH:14].O=S(=O)(O)[OH:11]>CCOCC.O.O=NO.[Na+]>[CH3:1][CH2:2][c:3]1[c:4]([CH2:5][CH3:6])[cH:7][c:8]([CH2:9][C@@H:10]([OH:11])[C:12](=[O:13])[OH:14])[cH:15][cH:16]1 IGGXQADMHRJVCR-GFCCVEGCSA-N.QAOWNCQODCNURD-UHFFFAOYSA-N>>MBOTYQNLKPLAGN-GFCCVEGCSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[OH;D1;+0:6])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].O-S(=O)(=O)-[OH;D1;+0:6] 4920681a8525a5b034fc319a7c2107a54bde4d03b9ac25f9a0e33f748697a7a5 [O:1]=[C:2]([N:3]1[CH2:4][CH2:5][c:6]2[c:7]([cH:8][cH:9][c:10]3[c:11]2[CH2:12][CH2:13][CH2:14][C:15]3=[O:16])[CH2:17]1)[C:18]([F:19])([F:20])[F:21]>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CSC.Cc1ccccc1>[O:1]=[C:2]([N:3]1[CH2:4][CH2:5][c:6]2[c:7]([cH:8][cH:9][c:10]3[c:11]2[CH2:12][CH2:13][CH2:14][C@@H:15]3[OH:16])[CH2:17]1)[C:18]([F:19])([F:20])[F:21] REWWAHVCDZNZAQ-UHFFFAOYSA-N>>JRMAOKLIBFCIKX-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled True [#7:1]-[C:2]-[c:3]1:[c:4]:[c:5]:[c:6](-[C@@H;D3;+0:7](-[C:8])-[OH;D1;+0:9]):[c:10]:[c:11]:1>>[#7:1]-[C:2]-[c:3]1:[c:4]:[c:5]:[c:6](-[C;H0;D3;+0:7](-[C:8])=[O;H0;D1;+0:9]):[c:10]:[c:11]:1 679c662d450392c42ce23c9b6223d7ae557ea1f9323ee57d54b2fef5806e2247 [O:1]=[C:2]([N:3]1[CH2:4][CH2:5][c:6]2[cH:7][c:8]3[c:9]([cH:10][c:11]2[CH2:12]1)[CH2:13][CH2:14][CH2:15][C:16]3=[O:17])[C:18]([F:19])([F:20])[F:21]>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CSC.Cc1ccccc1>[O:1]=[C:2]([N:3]1[CH2:4][CH2:5][c:6]2[cH:7][c:8]3[c:9]([cH:10][c:11]2[CH2:12]1)[CH2:13][CH2:14][CH2:15][C@@H:16]3[OH:17])[C:18]([F:19])([F:20])[F:21] LERDCNLOLFNKFB-UHFFFAOYSA-N>>YEHFOIYHXPHDSP-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled True [#7:1]-[C:2]-[c:3]1:[c:4]:[c:5]:[c:6](-[C@@H;D3;+0:7](-[C:8])-[OH;D1;+0:9]):[c:10]:[c:11]:1>>[#7:1]-[C:2]-[c:3]1:[c:4]:[c:5]:[c:6](-[C;H0;D3;+0:7](-[C:8])=[O;H0;D1;+0:9]):[c:10]:[c:11]:1 679c662d450392c42ce23c9b6223d7ae557ea1f9323ee57d54b2fef5806e2247 [CH3:1][O:2][c:3]1[c:4]([F:5])[cH:6][cH:7][c:8]([C:9]([CH3:10])=[O:11])[cH:12]1>C1CCOC1.C[C@H]1[C@@H](B(Cl)[C@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C>[CH3:1][O:2][c:3]1[c:4]([F:5])[cH:6][cH:7][c:8]([C@@H:9]([CH3:10])[OH:11])[cH:12]1 PFEGFUCYOHBDJF-UHFFFAOYSA-N>>OGBGGCJKDXCBGP-ZCFIWIBFSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[n:7][cH:8][cH:9][c:10]([C:11](=[O:12])[CH2:13][Br:14])[c:15]2[n:16]1>C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)C[C@@H]2C[C@@H]1C2(C)C.Cc1ccccc1.OCCNCCO>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[n:7][cH:8][cH:9][c:10]([C@@H:11]([OH:12])[CH2:13][Br:14])[c:15]2[n:16]1 NXXABUJSPNTJNK-UHFFFAOYSA-N>>CADQEVJCGCIBDZ-VIFPVBQESA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 59818681547a35b540f5f8f7dbade1077a9ae258660c4149c86b99538d1ed2c0 [CH3:1][C@H:2]1[C@H:3]2[C@H:4]([CH2:5][C@H:6]3[C@@H:7]4[CH2:8][CH:9]=[C:10]5[CH2:11][C@@H:12]([OH:13])[CH2:14][CH2:15][C@:16]5([CH3:17])[C@H:18]4[CH2:19][CH2:20][C@:21]23[CH3:22])[O:23][C@:24]12[CH2:25][CH2:26][C@@H:27]([CH3:28])[CH2:29][O:30]2>[Pd]>[CH3:1][C@H:2]1[C@H:3]2[C@H:4]([CH2:5][C@H:6]3[C@@H:7]4[CH2:8][CH2:9][C@H:10]5[CH2:11][C@@H:12]([OH:13])[CH2:14][CH2:15][C@:16]5([CH3:17])[C@H:18]4[CH2:19][CH2:20][C@:21]23[CH3:22])[O:23][C@:24]12[CH2:25][CH2:26][C@@H:27]([CH3:28])[CH2:29][O:30]2 WQLVFSAGQJTQCK-VKROHFNGSA-N>>GMBQZIIUCVWOCD-MFRNJXNGSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[CH2;D2;+0:4]-[C:5]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[CH;D2;+0:4]-[C:5] 05675f9eecea9fed6ca08fc4581511e42ec4fea0ca77351e260a499df9546024 [CH3:1][C@H:2]1[C@H:3]2[C@H:4]([CH2:5][C@H:6]3[C@@H:7]4[CH2:8][CH2:9][C@@H:10]5[CH2:11][C:12](=[O:13])[CH2:14][CH2:15][C@:16]5([CH3:17])[C@H:18]4[CH2:19][CH2:20][C@:21]23[CH3:22])[O:23][C@:24]12[CH2:25][CH2:26][C@@H:27]([CH3:28])[CH2:29][O:30]2>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Li+]>[CH3:1][C@H:2]1[C@H:3]2[C@H:4]([CH2:5][C@H:6]3[C@@H:7]4[CH2:8][CH2:9][C@@H:10]5[CH2:11][C@@H:12]([OH:13])[CH2:14][CH2:15][C@:16]5([CH3:17])[C@H:18]4[CH2:19][CH2:20][C@:21]23[CH3:22])[O:23][C@:24]12[CH2:25][CH2:26][C@@H:27]([CH3:28])[CH2:29][O:30]2 CIBAPVLFORANSS-OBOJVYGLSA-N>>GMBQZIIUCVWOCD-UQHLGXRBSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C@H:2]1[C@H:3]2[C@H:4]([CH2:5][C@H:6]3[C@@H:7]4[CH2:8][CH2:9][C:10]5=[CH:11][C:12](=[O:13])[CH2:14][CH2:15][C@:16]5([CH3:17])[C@H:18]4[CH2:19][CH2:20][C@:21]23[CH3:22])[O:23][C@:24]12[CH2:25][CH2:26][C@@H:27]([CH3:28])[CH2:29][O:30]2>C1CCOC1.O=S(=O)(O)O.[Ba+2].[Pd]>[CH3:1][C@H:2]1[C@H:3]2[C@H:4]([CH2:5][C@H:6]3[C@@H:7]4[CH2:8][CH2:9][C@@H:10]5[CH2:11][C:12](=[O:13])[CH2:14][CH2:15][C@:16]5([CH3:17])[C@H:18]4[CH2:19][CH2:20][C@:21]23[CH3:22])[O:23][C@:24]12[CH2:25][CH2:26][C@@H:27]([CH3:28])[CH2:29][O:30]2 AZXZUBZBLNFUPF-CLGLNXEMSA-N>>CIBAPVLFORANSS-OBOJVYGLSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[CH2;D2;+0:4]-[C:5]=[O;D1;H0:6]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[CH;D2;+0:4]-[C:5]=[O;D1;H0:6] e8d4f1f8149597570a8322f400fb98a7d2abf7f149d24a71d72a23f2556221b5 [O:1]=[N+:2]([O-:3])[c:4]1[c:5]([O:6][CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:14][cH:15][c:16]([C:17](=[O:18])[CH2:19][Br:20])[cH:21]1>C1CCOC1.N[C@H]1c2ccccc2C[C@H]1O>[O:1]=[N+:2]([O-:3])[c:4]1[c:5]([O:6][CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:14][cH:15][c:16]([C@H:17]([OH:18])[CH2:19][Br:20])[cH:21]1 PBAAKBQGBSUCTG-UHFFFAOYSA-N>>HQGAJOFIQLBIIM-CQSZACIVSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([C:8](=[O:9])[C@H:10]([CH3:11])[NH:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:20]1>CC(C)O.CC(C)O.CC(C)O.CC(C)O.Cc1ccccc1.[Al+3]>[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([C@@H:8]([OH:9])[C@H:10]([CH3:11])[NH:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:20]1 OPKYQQXMRGWTAC-JTQLQIEISA-N>>NSAJJOGMJBVOJY-GWCFXTLKSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[C@H:9]([CH3:10])[NH:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[cH:19][cH:20]1>CC(C)O.CC(C)[Al](C(C)C)C(C)C.Cc1ccccc1>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C@@H:7]([OH:8])[C@H:9]([CH3:10])[NH:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[cH:19][cH:20]1 XVNMLCMOHXJIIZ-NSHDSACASA-N>>UFJXPBLOKLYBCE-FZMZJTMJSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][C@@H:2]([NH:3][C:4](=[O:5])[O:6][C:7]([CH3:8])([CH3:9])[CH3:10])[C:11](=[O:12])[c:13]1[cH:14][c:15]2[c:16]([cH:17][cH:18]1)[CH2:19][CH2:20][O:21]2>CC(C)O.CC(C)O[Al](OC(C)C)OC(C)C.Cc1ccccc1>[CH3:1][C@@H:2]([NH:3][C:4](=[O:5])[O:6][C:7]([CH3:8])([CH3:9])[CH3:10])[C@H:11]([OH:12])[c:13]1[cH:14][c:15]2[c:16]([cH:17][cH:18]1)[CH2:19][CH2:20][O:21]2 DKTUBCPPGRTJMZ-SNVBAGLBSA-N>>LTNCVPAWGWBREC-YGRLFVJLSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c Br[Mg][CH3:1].[CH:2](=[O:3])[CH2:4][C@H:5]1[CH2:6][O:7][C:8]([CH3:9])([CH3:10])[N:11]1[C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18]>C1CCOC1.CCOCC>[CH3:1][C@H:2]([OH:3])[CH2:4][C@H:5]1[CH2:6][O:7][C:8]([CH3:9])([CH3:10])[N:11]1[C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18] AVFUHBJCUUTGCD-UHFFFAOYSA-M.GAWRNYMYEGSVFV-VIFPVBQESA-N>>GQPCIHHXCPLSPH-UWVGGRQHSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3](-[CH3;D1;+0:1])-[OH;D1;+0:4]>>Br-[Mg]-[CH3;D1;+0:1].[C:2]-[CH;D2;+0:3]=[O;H0;D1;+0:4] 23ef438432ca637c5b994f16b25a0c8a7bc78da756ca4ad4997985a1b2060894 [CH3:1][C:2]1([C:3]([F:4])([F:5])[F:6])[CH2:7][C:8](=[O:9])[c:10]2[cH:11][c:12]([Br:13])[cH:14][cH:15][c:16]2[O:17]1>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CSC.Cc1ccccc1.Cl>[CH3:1][C:2]1([C:3]([F:4])([F:5])[F:6])[CH2:7][C@@H:8]([OH:9])[c:10]2[cH:11][c:12]([Br:13])[cH:14][cH:15][c:16]2[O:17]1 FFFCBFDWXHBGET-UHFFFAOYSA-N>>PYOPWYHBICHTRK-HNHGDDPOSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C:2]1(-[C;D1;H3:3])-[#8:4]-[c:5]:[c:6]-[C@H;D3;+0:7](-[OH;D1;+0:8])-[C:9]-1>>[C:1]-[C:2]1(-[C;D1;H3:3])-[#8:4]-[c:5]:[c:6]-[C;H0;D3;+0:7](=[O;H0;D1;+0:8])-[C:9]-1 df9e0b98058cf70d625d318d01fa954f1e694c1f000d36343e5c355e50cc3874 [O:1]=[N+:2]([O-:3])[c:4]1[c:5]([O:6][CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:14][cH:15][c:16]([C:17](=[O:18])[CH2:19][Br:20])[cH:21]1>C1CCOC1.N[C@H]1c2ccccc2C[C@H]1O>[O:1]=[N+:2]([O-:3])[c:4]1[c:5]([O:6][CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:14][cH:15][c:16]([C@H:17]([OH:18])[CH2:19][Br:20])[cH:21]1 PBAAKBQGBSUCTG-UHFFFAOYSA-N>>HQGAJOFIQLBIIM-CQSZACIVSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][C:2]1([C:3]([F:4])([F:5])[F:6])[CH2:7][C:8](=[O:9])[c:10]2[cH:11][c:12]([Br:13])[cH:14][cH:15][c:16]2[O:17]1>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CSC.Cc1ccccc1.Cl>[CH3:1][C:2]1([C:3]([F:4])([F:5])[F:6])[CH2:7][C@@H:8]([OH:9])[c:10]2[cH:11][c:12]([Br:13])[cH:14][cH:15][c:16]2[O:17]1 FFFCBFDWXHBGET-UHFFFAOYSA-N>>PYOPWYHBICHTRK-HNHGDDPOSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C:2]1(-[C;D1;H3:3])-[#8:4]-[c:5]:[c:6]-[C@@H;D3;+0:7](-[OH;D1;+0:8])-[C:9]-1>>[C:1]-[C:2]1(-[C;D1;H3:3])-[#8:4]-[c:5]:[c:6]-[C;H0;D3;+0:7](=[O;H0;D1;+0:8])-[C:9]-1 c57436e477038ece1af5eb6652d120ac718830c7540f44fc1045692fec56ece1 [CH3:1][C:2](=[O:3])[O:4][c:5]1[cH:6][cH:7][cH:8][c:9]([CH2:10][CH2:11][N+:28](=[O:29])[O-:30])[cH:31]1.[CH:12](=[O:13])[C@H:14]1[CH2:15][O:16][C:17]([CH3:18])([CH3:19])[N:20]1[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27]>C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.F>[CH3:1][C:2](=[O:3])[O:4][c:5]1[cH:6][cH:7][cH:8][c:9]([CH2:10][C@@H:11]([C@H:12]([OH:13])[C@H:14]2[CH2:15][O:16][C:17]([CH3:18])([CH3:19])[N:20]2[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[N+:28](=[O:29])[O-:30])[cH:31]1 PNJXYVJNOCLJLJ-QMMMGPOBSA-N.QQTUFQSJBLGYHE-UHFFFAOYSA-N>>NWJNELWJCYBQTE-KSZLIROESA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5]-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[C@@H;D3;+0:2](-[#7;+:1])-[C:3]>>[#7;+:1]-[CH2;D2;+0:2]-[C:3].[#7:4]-[C:5]-[CH;D2;+0:6]=[O;H0;D1;+0:7] 8e7812093e5f103e4cb6b1bbe7a4e254841911f87090f8806f4b2564d8e032f1 [CH2:24]([CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[N+:32](=[O:33])[O-:34].[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C@H:10]([CH2:11][CH2:12][CH:13]2[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[O:19][CH2:20][C@@H:21]1[CH:22]=[O:23]>C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.CCOC(C)=O.F>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C@H:10]([CH2:11][CH2:12][CH:13]2[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[O:19][CH2:20][C@@H:21]1[C@@H:22]([OH:23])[C@H:24]([CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[N+:32](=[O:33])[O-:34] XAWCLWKTUKMCMO-UHFFFAOYSA-N.XJJZYPXXGBWMMD-HOTGVXAUSA-N>>JRMCKVCWOGVTBK-XQUALCHDSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5]-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[C@@H;D3;+0:2](-[#7;+:1])-[C:3]>>[#7;+:1]-[CH2;D2;+0:2]-[C:3].[#7:4]-[C:5]-[CH;D2;+0:6]=[O;H0;D1;+0:7] 8e7812093e5f103e4cb6b1bbe7a4e254841911f87090f8806f4b2564d8e032f1 [CH2:28]([CH2:29][c:30]1[cH:31][c:32]([F:33])[cH:34][c:35]([F:36])[cH:37]1)[N+:38](=[O:39])[O-:40].[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[O:23][CH2:24][C@@H:25]1[CH:26]=[O:27]>C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.CCOC(C)=O.Cl.F.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[O:23][CH2:24][C@@H:25]1[C@@H:26]([OH:27])[C@H:28]([CH2:29][c:30]1[cH:31][c:32]([F:33])[cH:34][c:35]([F:36])[cH:37]1)[N+:38](=[O:39])[O-:40] NHYKRPUCZZZNSG-UHFFFAOYSA-N.ZZBXRUCCNVTBHZ-IBGZPJMESA-N>>ALKJHBKKWHDMIY-VJGNERBWSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5]-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[C@@H;D3;+0:2](-[#7;+:1])-[C:3]>>[#7;+:1]-[CH2;D2;+0:2]-[C:3].[#7:4]-[C:5]-[CH;D2;+0:6]=[O;H0;D1;+0:7] 8e7812093e5f103e4cb6b1bbe7a4e254841911f87090f8806f4b2564d8e032f1 Cl[Mg][CH2:7][CH2:6][CH2:5][C:2]([CH3:1])([F:3])[F:4].[C:8](=[O:9])([c:10]1[cH:11][c:12]([Cl:13])[cH:14][cH:15][cH:16]1)[C@@H:17]1[CH2:18][CH2:19][CH2:20][N:21]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:29]1>C1CCOC1>[CH3:1][C:2]([F:3])([F:4])[CH2:5][CH2:6][CH2:7][C@@:8]([OH:9])([c:10]1[cH:11][c:12]([Cl:13])[cH:14][cH:15][cH:16]1)[C@@H:17]1[CH2:18][CH2:19][CH2:20][N:21]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:29]1 BAGDSBRGWXVOOH-CYBMUJFWSA-N.HYJMZDMSBOIOLV-UHFFFAOYSA-M>>NXXJJPCHEXVTDP-VGOFRKELSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@;H0;D4;+0:4](-[OH;D1;+0:5])(-[c:6])-[CH2;D2;+0:1]-[C:2]>>Cl-[Mg]-[CH2;D2;+0:1]-[C:2].[C:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[c:6] 9350ac5007752dafe80f3b1c1f4b7a7c1e44a921a081de76c8202d6f0d24cdab Cl[Mg][CH2:6][CH2:5][CH2:4][CH2:3][O:2][CH3:1].[C:7](=[O:8])([c:9]1[c:10]([O:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:18][cH:19][cH:20][cH:21]1)[C@@H:22]1[CH2:23][CH2:24][CH2:25][N:26]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:34]1>C1CCOC1>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][CH2:6][C@@:7]([OH:8])([c:9]1[c:10]([O:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:18][cH:19][cH:20][cH:21]1)[C@@H:22]1[CH2:23][CH2:24][CH2:25][N:26]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:34]1 QCIPGWRSPIFAAB-UHFFFAOYSA-M.WRJIRUNVQNPVAW-QGZVFWFLSA-N>>ZOYOLPTVJZJHBN-DFHRPNOPSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@;H0;D4;+0:4](-[OH;D1;+0:5])(-[c:6])-[CH2;D2;+0:1]-[C:2]>>Cl-[Mg]-[CH2;D2;+0:1]-[C:2].[C:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[c:6] 9350ac5007752dafe80f3b1c1f4b7a7c1e44a921a081de76c8202d6f0d24cdab Cl[Mg][CH2:6][CH2:5][CH2:4][CH2:3][O:2][CH3:1].[C:7](=[O:8])([c:9]1[c:10]([O:11][c:12]2[cH:13][c:14]([F:15])[cH:16][cH:17][cH:18]2)[cH:19][cH:20][cH:21][cH:22]1)[C@@H:23]1[CH2:24][CH2:25][CH2:26][N:27]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:35]1>C1CCOC1>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][CH2:6][C@@:7]([OH:8])([c:9]1[c:10]([O:11][c:12]2[cH:13][c:14]([F:15])[cH:16][cH:17][cH:18]2)[cH:19][cH:20][cH:21][cH:22]1)[C@@H:23]1[CH2:24][CH2:25][CH2:26][N:27]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:35]1 QCIPGWRSPIFAAB-UHFFFAOYSA-M.RHHZFFUDPVFDLU-MRXNPFEDSA-N>>SDOBPOMEQZVMCZ-PIKZIKFNSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@;H0;D4;+0:4](-[OH;D1;+0:5])(-[c:6])-[CH2;D2;+0:1]-[C:2]>>Cl-[Mg]-[CH2;D2;+0:1]-[C:2].[C:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[c:6] 9350ac5007752dafe80f3b1c1f4b7a7c1e44a921a081de76c8202d6f0d24cdab Cl[CH2:6][CH2:5][CH2:4][CH2:3][O:2][CH3:1].[C:7](=[O:8])([c:9]1[c:10](-[c:11]2[c:12]([Cl:13])[cH:14][cH:15][cH:16][cH:17]2)[cH:18][cH:19][cH:20][cH:21]1)[C@@H:22]1[CH2:23][CH2:24][CH2:25][N:26]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:34]1>C1CCOC1.II.[Mg]>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][CH2:6][C@@:7]([OH:8])([c:9]1[c:10](-[c:11]2[c:12]([Cl:13])[cH:14][cH:15][cH:16][cH:17]2)[cH:18][cH:19][cH:20][cH:21]1)[C@@H:22]1[CH2:23][CH2:24][CH2:25][N:26]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:34]1 DFLRARJQZRCCKN-UHFFFAOYSA-N.QLTVCKUYFZOZEE-MRXNPFEDSA-N>>GGQCRGLKCAQZJL-PIKZIKFNSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@;H0;D4;+0:4](-[OH;D1;+0:5])(-[c:6])-[CH2;D2;+0:1]-[C:2]>>Cl-[CH2;D2;+0:1]-[C:2].[C:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[c:6] 9bad69c294d523da244863014cf86f43319bb55226a740294ff78c57b2bf9a11 Cl[CH2:6][CH2:5][CH2:4][CH2:3][O:2][CH3:1].[C:7](=[O:8])([c:9]1[cH:10][c:11]([Cl:12])[cH:13][cH:14][cH:15]1)[C@@H:16]1[CH2:17][CH2:18][CH2:19][N:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:28]1>C1CCOC1.II.[Mg]>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][CH2:6][C@@:7]([OH:8])([c:9]1[cH:10][c:11]([Cl:12])[cH:13][cH:14][cH:15]1)[C@@H:16]1[CH2:17][CH2:18][CH2:19][N:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:28]1 BAGDSBRGWXVOOH-CYBMUJFWSA-N.DFLRARJQZRCCKN-UHFFFAOYSA-N>>WIRNBTBHZQKNGR-XMSQKQJNSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@;H0;D4;+0:4](-[OH;D1;+0:5])(-[c:6])-[CH2;D2;+0:1]-[C:2]>>Cl-[CH2;D2;+0:1]-[C:2].[C:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[c:6] 9bad69c294d523da244863014cf86f43319bb55226a740294ff78c57b2bf9a11 Cl[CH2:6][CH2:5][CH2:4][CH2:3][O:2][CH3:1].[C:7](=[O:8])([c:9]1[c:10]([F:11])[c:12]([Cl:13])[cH:14][cH:15][cH:16]1)[C@@H:17]1[CH2:18][CH2:19][CH2:20][N:21]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:29]1>C1CCOC1.II.[Mg]>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][CH2:6][C@@:7]([OH:8])([c:9]1[c:10]([F:11])[c:12]([Cl:13])[cH:14][cH:15][cH:16]1)[C@@H:17]1[CH2:18][CH2:19][CH2:20][N:21]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:29]1 DFLRARJQZRCCKN-UHFFFAOYSA-N.QWILMTQGVXXLIM-LLVKDONJSA-N>>QMQQWDIEAHLIRE-ZHRRBRCNSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@;H0;D4;+0:4](-[OH;D1;+0:5])(-[c:6])-[CH2;D2;+0:1]-[C:2]>>Cl-[CH2;D2;+0:1]-[C:2].[C:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[c:6] 9bad69c294d523da244863014cf86f43319bb55226a740294ff78c57b2bf9a11 Cl[CH2:6][CH2:5][CH2:4][CH2:3][O:2][CH3:1].[C:7](=[O:8])([c:9]1[c:10]([O:11][CH2:12][CH:13]2[CH2:14][CH2:15]2)[c:16]([F:17])[cH:18][cH:19][cH:20]1)[C@@H:21]1[CH2:22][CH2:23][CH2:24][N:25]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:33]1>C1CCOC1.II.[Mg]>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][CH2:6][C@@:7]([OH:8])([c:9]1[c:10]([O:11][CH2:12][CH:13]2[CH2:14][CH2:15]2)[c:16]([F:17])[cH:18][cH:19][cH:20]1)[C@@H:21]1[CH2:22][CH2:23][CH2:24][N:25]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:33]1 DFLRARJQZRCCKN-UHFFFAOYSA-N.PRDFAUYSEAMYRE-OAHLLOKOSA-N>>SRHCCOKXBLREDX-IBVKSMDESA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@;H0;D4;+0:4](-[OH;D1;+0:5])(-[c:6])-[CH2;D2;+0:1]-[C:2]>>Cl-[CH2;D2;+0:1]-[C:2].[C:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[c:6] 9bad69c294d523da244863014cf86f43319bb55226a740294ff78c57b2bf9a11 I[CH2:3][CH:2]=[CH2:1].[CH2:4]([CH2:5][c:6]1[cH:7][c:8]2[cH:9][c:10]([CH3:11])[cH:12][cH:13][c:14]2[nH:15]1)[C:16](=[O:17])[N:18]1[C:19](=[O:20])[O:21][CH2:22][C@@H:23]1[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[CH2:1]=[CH:2][CH2:3][C@@H:4]([CH2:5][c:6]1[cH:7][c:8]2[cH:9][c:10]([CH3:11])[cH:12][cH:13][c:14]2[nH:15]1)[C:16](=[O:17])[N:18]1[C:19](=[O:20])[O:21][CH2:22][C@@H:23]1[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1 HFEHLDPGIKPNKL-UHFFFAOYSA-N.XUYLEBYPJCCUIT-LJQANCHMSA-N>>XWUZFRXWJDRMEW-PGRDOPGGSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3]>>I-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3].[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 3524875e62a2e9677016fc603ae9e216221f84c774031a133a32514c2dcfcd54 [CH3:1][O:2][C:3](=[O:4])/[C:5](=[CH:6]/[c:7]1[cH:8][c:9]([Cl:10])[cH:11][c:12]([Cl:13])[cH:14]1)[NH:15][C:16](=[O:17])[O:18][CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1>CC(C)Oc1ccc2c(c1)[C@@H](NC(=O)C(F)(F)F)C[C@H]2O.ClCCl>[CH3:1][O:2][C:3](=[O:4])[C@H:5]([CH2:6][c:7]1[cH:8][c:9]([Cl:10])[cH:11][c:12]([Cl:13])[cH:14]1)[NH:15][C:16](=[O:17])[O:18][CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1 VYJPMHOJMAQKAV-SXGWCWSVSA-N>>WNXLGOYVFPOZEY-INIZCTEOSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[#7:6]-[C:7](=[O;D1;H0:8])-[#8:9]-[C:10]-[c:11]1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)-[CH2;D2;+0:17]-[c:18]>>[C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])/[C;H0;D3;+0:5](-[#7:6]-[C:7](=[O;D1;H0:8])-[#8:9]-[C:10]-[c:11]1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)=[CH;D2;+0:17]/[c:18] d0528a097f1b5b24028f1e1aa4b97ac345be25f60238782299c8f67ff767c0d7 [O:1]=[C:2]([NH:3][C@@H:4]([CH2:5][c:6]1[cH:7][c:8]([Cl:9])[cH:10][c:11]([Cl:12])[cH:13]1)[C:14](=[O:15])[CH2:16][Br:17])[O:18][CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1>C1CCOC1.CCO>[O:1]=[C:2]([NH:3][C@@H:4]([CH2:5][c:6]1[cH:7][c:8]([Cl:9])[cH:10][c:11]([Cl:12])[cH:13]1)[C@H:14]([OH:15])[CH2:16][Br:17])[O:18][CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1 MKNCTJWSJDVXOJ-INIZCTEOSA-N>>AYKMWZUBDVZVKD-DLBZAZTESA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][CH2:2][CH2:3][CH2:4][CH:5]([CH3:6])[C:7](=[O:8])/[CH:9]=[CH:10]/[C@H:11]1[C@H:12]([O:13][C:14](=[O:15])[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22][C@@H:23]2[O:24][C:25](=[O:26])[CH2:27][C@H:28]12>CCOC(C)=O.CO.ClCCl.O.B.[Ce+3].Cl.Cl.Cl.Cl.N.[Na+]>[CH3:1][CH2:2][CH2:3][CH2:4][CH:5]([CH3:6])[C@H:7]([OH:8])/[CH:9]=[CH:10]/[C@H:11]1[C@H:12]([O:13][C:14](=[O:15])[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22][C@@H:23]2[O:24][C:25](=[O:26])[CH2:27][C@H:28]12 GOCNRMVMQSWTCL-GGUWPQBPSA-N>>UYRWMBNSISOFAC-VXRHXURKSA-N 0.0 Unrecognized False substrate controlled False [C:1]/[C:2]=[C:3]/[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[C:1]/[C:2]=[C:3]/[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] aa0c5d364c7b0880336e4d2a527b429971b8f795c3ee991061e4feff1f6058c0 [CH3:1][O:2][C:3](=[O:4])/[C:5](=[CH:6]/[c:7]1[cH:8][c:9]([Cl:10])[cH:11][c:12]([Cl:13])[cH:14]1)[NH:15][C:16](=[O:17])[O:18][CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1>CC(C)Oc1ccc2c(c1)[C@@H](NC(=O)C(F)(F)F)C[C@H]2O.ClCCl>[CH3:1][O:2][C:3](=[O:4])[C@H:5]([CH2:6][c:7]1[cH:8][c:9]([Cl:10])[cH:11][c:12]([Cl:13])[cH:14]1)[NH:15][C:16](=[O:17])[O:18][CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1 VYJPMHOJMAQKAV-SXGWCWSVSA-N>>WNXLGOYVFPOZEY-INIZCTEOSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[#7:6]-[C:7](=[O;D1;H0:8])-[#8:9]-[C:10]-[c:11]1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)-[CH2;D2;+0:17]-[c:18]>>[C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])/[C;H0;D3;+0:5](-[#7:6]-[C:7](=[O;D1;H0:8])-[#8:9]-[C:10]-[c:11]1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)=[CH;D2;+0:17]/[c:18] ce1b37cde2c7b399d0a65805785278a7eac42c1f316b113baa94dc4034d73493 [CH3:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][c:7]1[C:8]([F:9])([F:10])[F:11])[N:12]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:20][CH2:21][CH2:22][C:23]2=[O:24]>B.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CO.CSC.ClCCl>[CH3:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][c:7]1[C:8]([F:9])([F:10])[F:11])[N:12]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:20][CH2:21][CH2:22][C@H:23]2[OH:24] KBBDHKWIVAXDJJ-UHFFFAOYSA-N>>PCWLNIVCVKFQRY-CQSZACIVSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 O=P(c1ccccc1)(c1ccccc1)[N:24]=[N+:25]=[N-:26].O[C@H:23]1[c:4]2[cH:3][c:2]([CH3:1])[c:7]([C:8]([F:9])([F:10])[F:11])[cH:6][c:5]2[N:12]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:20][CH2:21][CH2:22]1>C1CCC2=NCCCN2CC1.Cc1ccccc1>[CH3:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][c:7]1[C:8]([F:9])([F:10])[F:11])[N:12]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:20][CH2:21][CH2:22][C@@H:23]2[N:24]=[N+:25]=[N-:26] MKRTXPORKIRPDG-UHFFFAOYSA-N.PCWLNIVCVKFQRY-CQSZACIVSA-N>>YWTJJCDDNBQMFP-ZDUSSCGKSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[c:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@H;D3;+0:1](-[C:2])-[c:3].O=P(-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6])(-c1:c:c:c:c:c:1)-c1:c:c:c:c:c:1 4eb382a86b030c7b24b48197fbe85900b55c4d618bc4c8be93912d86772920a2 [CH3:1][CH2:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][c:8]1[C:9]([F:10])([F:11])[F:12])[N:13]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:21][CH2:22][CH2:23][C:24]2=[O:25]>B.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CO.CSC.ClCCl>[CH3:1][CH2:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][c:8]1[C:9]([F:10])([F:11])[F:12])[N:13]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:21][CH2:22][CH2:23][C@H:24]2[OH:25] RREDAALMGZMAEK-UHFFFAOYSA-N>>BROBGGCRYPYELG-OAHLLOKOSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 O=P(c1ccccc1)(c1ccccc1)[N:25]=[N+:26]=[N-:27].O[C@H:24]1[c:5]2[cH:4][c:3]([CH2:2][CH3:1])[c:8]([C:9]([F:10])([F:11])[F:12])[cH:7][c:6]2[N:13]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:21][CH2:22][CH2:23]1>C1CCC2=NCCCN2CC1.Cc1ccccc1>[CH3:1][CH2:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][c:8]1[C:9]([F:10])([F:11])[F:12])[N:13]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:21][CH2:22][CH2:23][C@@H:24]2[N:25]=[N+:26]=[N-:27] BROBGGCRYPYELG-OAHLLOKOSA-N.MKRTXPORKIRPDG-UHFFFAOYSA-N>>IKDBWIVMBMDTDN-AWEZNQCLSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[c:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@H;D3;+0:1](-[C:2])-[c:3].O=P(-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6])(-c1:c:c:c:c:c:1)-c1:c:c:c:c:c:1 4eb382a86b030c7b24b48197fbe85900b55c4d618bc4c8be93912d86772920a2 [CH3:1][CH:2]([CH3:3])[CH:4]=[C:13]1[C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[O:20][C:21]1=[O:22].[CH:5]#[C:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1>CC(=O)O.CC(=O)O.ClCCl.O.O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[Cu+2].[Na+]>[CH3:1][CH:2]([CH3:3])[C@@H:4]([C:5]#[C:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[CH:13]1[C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[O:20][C:21]1=[O:22] UEXCJVNBTNXOEH-UHFFFAOYSA-N.ZFWVGTHZSVXZBY-UHFFFAOYSA-N>>UYQAEJXSCLGLOC-CQSZACIVSA-N 0.0 Unrecognized False reagent controlled False [C:3]-[C@@H;D3;+0:4](-[C;H0;D2;+0:2]#[C:1])-[CH;D3;+0:5]1-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])(-[C;D1;H3:11])-[#8:12]-[C:13]-1=[O;D1;H0:14]>>[C:1]#[CH;D1;+0:2].[C:3]-[CH;D2;+0:4]=[C;H0;D3;+0:5]1-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])(-[C;D1;H3:11])-[#8:12]-[C:13]-1=[O;D1;H0:14] 832b8ff555a732dd33a5ac9ff8a4ec42a4482a878eb74311b18003862a672ca8 [CH3:1][C:2]1([CH3:3])[O:4][C:5](=[O:6])[C:7](=[CH:8][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[C:23](=[O:24])[O:25]1.[CH:9]#[C:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1>CC(=O)O.CC(=O)O.ClCCl.O.O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[Cu+2].[Na+]>[CH3:1][C:2]1([CH3:3])[O:4][C:5](=[O:6])[CH:7]([C@H:8]([C:9]#[C:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[C:23](=[O:24])[O:25]1 KCUOMRXSWHELFT-UHFFFAOYSA-N.UEXCJVNBTNXOEH-UHFFFAOYSA-N>>RKAVHZYNCFAHEO-QGZVFWFLSA-N 0.0 Unrecognized False reagent controlled False [C:1]#[C;H0;D2;+0:2]-[C@H;D3;+0:4](-[C:3])-[CH;D3;+0:5]1-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])(-[C;D1;H3:11])-[#8:12]-[C:13]-1=[O;D1;H0:14]>>[C:1]#[CH;D1;+0:2].[C:3]-[CH;D2;+0:4]=[C;H0;D3;+0:5]1-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])(-[C;D1;H3:11])-[#8:12]-[C:13]-1=[O;D1;H0:14] 832b8ff555a732dd33a5ac9ff8a4ec42a4482a878eb74311b18003862a672ca8 [CH3:1][C:2]1([CH3:3])[O:4][C:5](=[O:6])[C:7](=[CH:8][CH:17]2[CH2:18][CH2:19]2)[C:20](=[O:21])[O:22]1.[CH:9]#[C:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1>CC(=O)O.CC(=O)O.ClCCl.O.O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[Cu+2].[Na+]>[CH3:1][C:2]1([CH3:3])[O:4][C:5](=[O:6])[CH:7]([C@H:8]([C:9]#[C:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[CH:17]2[CH2:18][CH2:19]2)[C:20](=[O:21])[O:22]1 AOZJTRWLNDXQTN-UHFFFAOYSA-N.UEXCJVNBTNXOEH-UHFFFAOYSA-N>>XVMGHYDBBJLBBW-CQSZACIVSA-N 0.0 Unrecognized False reagent controlled False [C:1]#[C;H0;D2;+0:2]-[C@H;D3;+0:4](-[C:3])-[CH;D3;+0:5]1-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])(-[C;D1;H3:11])-[#8:12]-[C:13]-1=[O;D1;H0:14]>>[C:1]#[CH;D1;+0:2].[C:3]-[CH;D2;+0:4]=[C;H0;D3;+0:5]1-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])(-[C;D1;H3:11])-[#8:12]-[C:13]-1=[O;D1;H0:14] 832b8ff555a732dd33a5ac9ff8a4ec42a4482a878eb74311b18003862a672ca8 [CH3:1][CH:2]([CH3:3])[CH2:4][CH:5]=[C:14]1[C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[O:21][C:22]1=[O:23].[CH:6]#[C:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1>CC(=O)O.CC(=O)O.ClCCl.O.O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[Cu+2].[Na+]>[CH3:1][CH:2]([CH3:3])[CH2:4][C@@H:5]([C:6]#[C:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[CH:14]1[C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[O:21][C:22]1=[O:23] CZRYZQLXKHWEFO-UHFFFAOYSA-N.UEXCJVNBTNXOEH-UHFFFAOYSA-N>>QBATZTUFSLXMBU-OAHLLOKOSA-N 0.0 Unrecognized False reagent controlled False [C:3]-[C@@H;D3;+0:4](-[C;H0;D2;+0:2]#[C:1])-[CH;D3;+0:5]1-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])(-[C;D1;H3:11])-[#8:12]-[C:13]-1=[O;D1;H0:14]>>[C:1]#[CH;D1;+0:2].[C:3]-[CH;D2;+0:4]=[C;H0;D3;+0:5]1-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])(-[C;D1;H3:11])-[#8:12]-[C:13]-1=[O;D1;H0:14] 832b8ff555a732dd33a5ac9ff8a4ec42a4482a878eb74311b18003862a672ca8 [CH3:1][CH2:2][CH:3]=[C:12]1[C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[O:19][C:20]1=[O:21].[CH:4]#[C:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1>CC(=O)O.CC(=O)O.ClCCl.O.O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[Cu+2].[Na+]>[CH3:1][CH2:2][C@@H:3]([C:4]#[C:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[CH:12]1[C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[O:19][C:20]1=[O:21] GJLRBXHMPBPGER-UHFFFAOYSA-N.UEXCJVNBTNXOEH-UHFFFAOYSA-N>>ZIOVGBZBXLYRLD-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled False [C:3]-[C@@H;D3;+0:4](-[C;H0;D2;+0:2]#[C:1])-[CH;D3;+0:5]1-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])(-[C;D1;H3:11])-[#8:12]-[C:13]-1=[O;D1;H0:14]>>[C:1]#[CH;D1;+0:2].[C:3]-[CH;D2;+0:4]=[C;H0;D3;+0:5]1-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])(-[C;D1;H3:11])-[#8:12]-[C:13]-1=[O;D1;H0:14] 832b8ff555a732dd33a5ac9ff8a4ec42a4482a878eb74311b18003862a672ca8 [CH3:1][C:2]1([CH3:3])[O:4][C:5](=[O:6])[C:7](=[CH:8][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[C:23](=[O:24])[O:25]1.[CH:9]#[C:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1>CC(=O)O.CC(=O)O.ClCCl.O.O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[Cu+2].[Na+]>[CH3:1][C:2]1([CH3:3])[O:4][C:5](=[O:6])[CH:7]([C@H:8]([C:9]#[C:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[C:23](=[O:24])[O:25]1 GMOOBZIVAQBVQK-UHFFFAOYSA-N.UEXCJVNBTNXOEH-UHFFFAOYSA-N>>TWGLTCIBBSKQGT-QGZVFWFLSA-N 0.0 Unrecognized False reagent controlled False [C:13]#[C;H0;D2;+0:14]-[C@H;D3;+0:8](-[c:9])-[CH;D3;+0:7]1-[C:5](=[O;D1;H0:6])-[#8:4]-[C:2](-[C;D1;H3:1])(-[C;D1;H3:3])-[#8:12]-[C:10]-1=[O;D1;H0:11]>>[C;D1;H3:1]-[C:2]1(-[C;D1;H3:3])-[#8:4]-[C:5](=[O;D1;H0:6])-[C;H0;D3;+0:7](=[CH;D2;+0:8]-[c:9])-[C:10](=[O;D1;H0:11])-[#8:12]-1.[C:13]#[CH;D1;+0:14] 2e9eb5c3e6679abbe2fdd506cbc6782825c745c726a8a0ae33b3e813c3935851 [CH3:1][c:2]1[cH:3][c:4]([CH:5]=[C:14]2[C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[O:21][C:22]2=[O:23])[cH:24][cH:25][cH:26]1.[CH:6]#[C:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1>CC(=O)O.CC(=O)O.ClCCl.O.O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[Cu+2].[Na+]>[CH3:1][c:2]1[cH:3][c:4]([C@@H:5]([C:6]#[C:7][c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[CH:14]2[C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[O:21][C:22]2=[O:23])[cH:24][cH:25][cH:26]1 SNYBZAWSAUZRMZ-UHFFFAOYSA-N.UEXCJVNBTNXOEH-UHFFFAOYSA-N>>VYPWDLRJQBPEIR-GOSISDBHSA-N 0.0 Unrecognized False reagent controlled False [C:13]#[C;H0;D2;+0:14]-[C@H;D3;+0:8](-[c:9])-[CH;D3;+0:7]1-[C:5](=[O;D1;H0:6])-[#8:4]-[C:2](-[C;D1;H3:1])(-[C;D1;H3:3])-[#8:12]-[C:10]-1=[O;D1;H0:11]>>[C;D1;H3:1]-[C:2]1(-[C;D1;H3:3])-[#8:4]-[C:5](=[O;D1;H0:6])-[C;H0;D3;+0:7](=[CH;D2;+0:8]-[c:9])-[C:10](=[O;D1;H0:11])-[#8:12]-1.[C:13]#[CH;D1;+0:14] 2e9eb5c3e6679abbe2fdd506cbc6782825c745c726a8a0ae33b3e813c3935851 [CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:7]=[C:16]2[C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[O:23][C:24]2=[O:25])[cH:26][cH:27]1.[CH:8]#[C:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1>CC(=O)O.CC(=O)O.ClCCl.O.O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[Cu+2].[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C@@H:7]([C:8]#[C:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH:16]2[C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[O:23][C:24]2=[O:25])[cH:26][cH:27]1 UEXCJVNBTNXOEH-UHFFFAOYSA-N.XVQBJKRSEOLQER-UHFFFAOYSA-N>>ITPCUUSFBYQMTH-GOSISDBHSA-N 0.0 Unrecognized False reagent controlled False [C:13]#[C;H0;D2;+0:14]-[C@H;D3;+0:8](-[c:9])-[CH;D3;+0:7]1-[C:5](=[O;D1;H0:6])-[#8:4]-[C:2](-[C;D1;H3:1])(-[C;D1;H3:3])-[#8:12]-[C:10]-1=[O;D1;H0:11]>>[C;D1;H3:1]-[C:2]1(-[C;D1;H3:3])-[#8:4]-[C:5](=[O;D1;H0:6])-[C;H0;D3;+0:7](=[CH;D2;+0:8]-[c:9])-[C:10](=[O;D1;H0:11])-[#8:12]-1.[C:13]#[CH;D1;+0:14] 2e9eb5c3e6679abbe2fdd506cbc6782825c745c726a8a0ae33b3e813c3935851 [CH3:1][C:2]1([CH3:3])[O:4][C:5](=[O:6])[C:7](=[CH:8][c:17]2[cH:18][cH:19][c:20]([Br:21])[cH:22][cH:23]2)[C:24](=[O:25])[O:26]1.[CH:9]#[C:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1>CC(=O)O.CC(=O)O.ClCCl.O.O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[Cu+2].[Na+]>[CH3:1][C:2]1([CH3:3])[O:4][C:5](=[O:6])[CH:7]([C@H:8]([C:9]#[C:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:17]2[cH:18][cH:19][c:20]([Br:21])[cH:22][cH:23]2)[C:24](=[O:25])[O:26]1 BYJCZLGELPMDTC-UHFFFAOYSA-N.UEXCJVNBTNXOEH-UHFFFAOYSA-N>>UEFYTHPGJVUXQD-QGZVFWFLSA-N 0.0 Unrecognized False reagent controlled False [C:13]#[C;H0;D2;+0:14]-[C@H;D3;+0:8](-[c:9])-[CH;D3;+0:7]1-[C:5](=[O;D1;H0:6])-[#8:4]-[C:2](-[C;D1;H3:1])(-[C;D1;H3:3])-[#8:12]-[C:10]-1=[O;D1;H0:11]>>[C;D1;H3:1]-[C:2]1(-[C;D1;H3:3])-[#8:4]-[C:5](=[O;D1;H0:6])-[C;H0;D3;+0:7](=[CH;D2;+0:8]-[c:9])-[C:10](=[O;D1;H0:11])-[#8:12]-1.[C:13]#[CH;D1;+0:14] 2e9eb5c3e6679abbe2fdd506cbc6782825c745c726a8a0ae33b3e813c3935851 O[C@H:6]1[C:2](=[O:1])[O:3][CH2:4][CH2:5]1.[NH:7]1[CH2:8][CH2:9][c:10]2[c:11]([Cl:12])[cH:13][cH:14][cH:15][c:16]21>CCN(C(C)C)C(C)C.CCOC(C)=O.ClCCl.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F>[O:1]=[C:2]1[O:3][CH2:4][CH2:5][C@@H:6]1[N:7]1[CH2:8][CH2:9][c:10]2[c:11]([Cl:12])[cH:13][cH:14][cH:15][c:16]21 BBHMZHDPVNXFMI-UHFFFAOYSA-N.FWIBCWKHNZBDLS-GSVOUGTGSA-N>>BFGVXCUBNJPEQY-NSHDSACASA-N 0.0 Unrecognized False stereospecific False [C:7]-[N;H0;D3;+0:8](-[c:9])-[C@H;D3;+0:1]1-[C:2]-[C:3]-[#8:4]-[C:5]-1=[O;D1;H0:6]>>O-[C@@H;D3;+0:1]1-[C:2]-[C:3]-[#8:4]-[C:5]-1=[O;D1;H0:6].[C:7]-[NH;D2;+0:8]-[c:9] b3c8f23628d0a564dfa9051860c30a52ed227160b3bc86ea0d83a9c6070d9a9a O[C@H:6]1[C:2](=[O:1])[O:3][CH2:4][CH2:5]1.[NH:7]1[CH2:8][CH2:9][CH2:10][c:11]2[cH:12][c:13]([Cl:14])[cH:15][cH:16][c:17]21>CCN(C(C)C)C(C)C.CCOC(C)=O.ClCCl.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F>[O:1]=[C:2]1[O:3][CH2:4][CH2:5][C@@H:6]1[N:7]1[CH2:8][CH2:9][CH2:10][c:11]2[cH:12][c:13]([Cl:14])[cH:15][cH:16][c:17]21 FWIBCWKHNZBDLS-GSVOUGTGSA-N.PASUADIMFGAUDB-UHFFFAOYSA-N>>NQEUCZBHGAFVAZ-LBPRGKRZSA-N 0.0 Unrecognized False stereospecific False [C:7]-[N;H0;D3;+0:8](-[c:9])-[C@H;D3;+0:1]1-[C:2]-[C:3]-[#8:4]-[C:5]-1=[O;D1;H0:6]>>O-[C@@H;D3;+0:1]1-[C:2]-[C:3]-[#8:4]-[C:5]-1=[O;D1;H0:6].[C:7]-[NH;D2;+0:8]-[c:9] b3c8f23628d0a564dfa9051860c30a52ed227160b3bc86ea0d83a9c6070d9a9a O[C@H:6]1[C:2](=[O:1])[O:3][CH2:4][CH2:5]1.[NH:7]1[CH2:8][CH2:9][c:10]2[c:11]([Cl:12])[c:13]([F:14])[cH:15][cH:16][c:17]21>CCN(C(C)C)C(C)C.ClCCl.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F>[O:1]=[C:2]1[O:3][CH2:4][CH2:5][C@@H:6]1[N:7]1[CH2:8][CH2:9][c:10]2[c:11]([Cl:12])[c:13]([F:14])[cH:15][cH:16][c:17]21 FWIBCWKHNZBDLS-GSVOUGTGSA-N.ZGDMHRLSOGHDSZ-UHFFFAOYSA-N>>RUVUQFUJOWNEBJ-JTQLQIEISA-N 0.0 Unrecognized False stereospecific False [C:7]-[N;H0;D3;+0:8](-[c:9])-[C@H;D3;+0:1]1-[C:2]-[C:3]-[#8:4]-[C:5]-1=[O;D1;H0:6]>>O-[C@@H;D3;+0:1]1-[C:2]-[C:3]-[#8:4]-[C:5]-1=[O;D1;H0:6].[C:7]-[NH;D2;+0:8]-[c:9] b3c8f23628d0a564dfa9051860c30a52ed227160b3bc86ea0d83a9c6070d9a9a [CH3:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][c:7]1[C:8]([F:9])([F:10])[F:11])[N:12]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:20][CH2:21][CH2:22][C:23]2=[O:24]>B.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CO.CSC.ClCCl>[CH3:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][c:7]1[C:8]([F:9])([F:10])[F:11])[N:12]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:20][CH2:21][CH2:22][C@H:23]2[OH:24] KBBDHKWIVAXDJJ-UHFFFAOYSA-N>>PCWLNIVCVKFQRY-CQSZACIVSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][CH2:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][c:8]1[C:9]([F:10])([F:11])[F:12])[N:13]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:21][CH2:22][CH2:23][C:24]2=[O:25]>B.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CO.CSC.ClCCl>[CH3:1][CH2:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][c:8]1[C:9]([F:10])([F:11])[F:12])[N:13]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:21][CH2:22][CH2:23][C@H:24]2[OH:25] RREDAALMGZMAEK-UHFFFAOYSA-N>>BROBGGCRYPYELG-OAHLLOKOSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][CH:2]([CH3:3])[CH:4]=[C:13]1[C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[O:20][C:21]1=[O:22].[CH:5]#[C:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1>CC(=O)O.CC(=O)O.ClCCl.O.O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[Cu+2].[Na+]>[CH3:1][CH:2]([CH3:3])[C@@H:4]([C:5]#[C:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[CH:13]1[C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[O:20][C:21]1=[O:22] UEXCJVNBTNXOEH-UHFFFAOYSA-N.ZFWVGTHZSVXZBY-UHFFFAOYSA-N>>UYQAEJXSCLGLOC-CQSZACIVSA-N 0.0 Unrecognized False reagent controlled True [C:3]-[C@H;D3;+0:4](-[C;H0;D2;+0:2]#[C:1])-[CH;D3;+0:5]1-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])(-[C;D1;H3:11])-[#8:12]-[C:13]-1=[O;D1;H0:14]>>[C:1]#[CH;D1;+0:2].[C:3]-[CH;D2;+0:4]=[C;H0;D3;+0:5]1-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])(-[C;D1;H3:11])-[#8:12]-[C:13]-1=[O;D1;H0:14] 7a1e31897c172aed940d1ac8c97d5f949670397186d2cbac1e1acc417cf479c9 [CH3:1][C:2]1([CH3:3])[O:4][C:5](=[O:6])[C:7](=[CH:8][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[C:23](=[O:24])[O:25]1.[CH:9]#[C:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1>CC(=O)O.CC(=O)O.ClCCl.O.O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[Cu+2].[Na+]>[CH3:1][C:2]1([CH3:3])[O:4][C:5](=[O:6])[CH:7]([C@H:8]([C:9]#[C:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[C:23](=[O:24])[O:25]1 KCUOMRXSWHELFT-UHFFFAOYSA-N.UEXCJVNBTNXOEH-UHFFFAOYSA-N>>RKAVHZYNCFAHEO-QGZVFWFLSA-N 0.0 Unrecognized False reagent controlled True [C:1]#[C;H0;D2;+0:2]-[C@@H;D3;+0:4](-[C:3])-[CH;D3;+0:5]1-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])(-[C;D1;H3:11])-[#8:12]-[C:13]-1=[O;D1;H0:14]>>[C:1]#[CH;D1;+0:2].[C:3]-[CH;D2;+0:4]=[C;H0;D3;+0:5]1-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])(-[C;D1;H3:11])-[#8:12]-[C:13]-1=[O;D1;H0:14] 7a1e31897c172aed940d1ac8c97d5f949670397186d2cbac1e1acc417cf479c9 [CH3:1][C:2]1([CH3:3])[O:4][C:5](=[O:6])[C:7](=[CH:8][CH:17]2[CH2:18][CH2:19]2)[C:20](=[O:21])[O:22]1.[CH:9]#[C:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1>CC(=O)O.CC(=O)O.ClCCl.O.O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[Cu+2].[Na+]>[CH3:1][C:2]1([CH3:3])[O:4][C:5](=[O:6])[CH:7]([C@H:8]([C:9]#[C:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[CH:17]2[CH2:18][CH2:19]2)[C:20](=[O:21])[O:22]1 AOZJTRWLNDXQTN-UHFFFAOYSA-N.UEXCJVNBTNXOEH-UHFFFAOYSA-N>>XVMGHYDBBJLBBW-CQSZACIVSA-N 0.0 Unrecognized False reagent controlled True [C:1]#[C;H0;D2;+0:2]-[C@@H;D3;+0:4](-[C:3])-[CH;D3;+0:5]1-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])(-[C;D1;H3:11])-[#8:12]-[C:13]-1=[O;D1;H0:14]>>[C:1]#[CH;D1;+0:2].[C:3]-[CH;D2;+0:4]=[C;H0;D3;+0:5]1-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])(-[C;D1;H3:11])-[#8:12]-[C:13]-1=[O;D1;H0:14] 7a1e31897c172aed940d1ac8c97d5f949670397186d2cbac1e1acc417cf479c9 [CH3:1][CH:2]([CH3:3])[CH2:4][CH:5]=[C:14]1[C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[O:21][C:22]1=[O:23].[CH:6]#[C:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1>CC(=O)O.CC(=O)O.ClCCl.O.O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[Cu+2].[Na+]>[CH3:1][CH:2]([CH3:3])[CH2:4][C@@H:5]([C:6]#[C:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[CH:14]1[C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[O:21][C:22]1=[O:23] CZRYZQLXKHWEFO-UHFFFAOYSA-N.UEXCJVNBTNXOEH-UHFFFAOYSA-N>>QBATZTUFSLXMBU-OAHLLOKOSA-N 0.0 Unrecognized False reagent controlled True [C:3]-[C@H;D3;+0:4](-[C;H0;D2;+0:2]#[C:1])-[CH;D3;+0:5]1-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])(-[C;D1;H3:11])-[#8:12]-[C:13]-1=[O;D1;H0:14]>>[C:1]#[CH;D1;+0:2].[C:3]-[CH;D2;+0:4]=[C;H0;D3;+0:5]1-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])(-[C;D1;H3:11])-[#8:12]-[C:13]-1=[O;D1;H0:14] 7a1e31897c172aed940d1ac8c97d5f949670397186d2cbac1e1acc417cf479c9 [CH3:1][CH2:2][CH:3]=[C:12]1[C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[O:19][C:20]1=[O:21].[CH:4]#[C:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1>CC(=O)O.CC(=O)O.ClCCl.O.O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[Cu+2].[Na+]>[CH3:1][CH2:2][C@@H:3]([C:4]#[C:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[CH:12]1[C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[O:19][C:20]1=[O:21] GJLRBXHMPBPGER-UHFFFAOYSA-N.UEXCJVNBTNXOEH-UHFFFAOYSA-N>>ZIOVGBZBXLYRLD-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled True [C:3]-[C@H;D3;+0:4](-[C;H0;D2;+0:2]#[C:1])-[CH;D3;+0:5]1-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])(-[C;D1;H3:11])-[#8:12]-[C:13]-1=[O;D1;H0:14]>>[C:1]#[CH;D1;+0:2].[C:3]-[CH;D2;+0:4]=[C;H0;D3;+0:5]1-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])(-[C;D1;H3:11])-[#8:12]-[C:13]-1=[O;D1;H0:14] 7a1e31897c172aed940d1ac8c97d5f949670397186d2cbac1e1acc417cf479c9 [CH3:1][C:2]1([CH3:3])[O:4][C:5](=[O:6])[C:7](=[CH:8][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[C:23](=[O:24])[O:25]1.[CH:9]#[C:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1>CC(=O)O.CC(=O)O.ClCCl.O.O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[Cu+2].[Na+]>[CH3:1][C:2]1([CH3:3])[O:4][C:5](=[O:6])[CH:7]([C@H:8]([C:9]#[C:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[C:23](=[O:24])[O:25]1 GMOOBZIVAQBVQK-UHFFFAOYSA-N.UEXCJVNBTNXOEH-UHFFFAOYSA-N>>TWGLTCIBBSKQGT-QGZVFWFLSA-N 0.0 Unrecognized False reagent controlled True [C:13]#[C;H0;D2;+0:14]-[C@@H;D3;+0:8](-[c:9])-[CH;D3;+0:7]1-[C:5](=[O;D1;H0:6])-[#8:4]-[C:2](-[C;D1;H3:1])(-[C;D1;H3:3])-[#8:12]-[C:10]-1=[O;D1;H0:11]>>[C;D1;H3:1]-[C:2]1(-[C;D1;H3:3])-[#8:4]-[C:5](=[O;D1;H0:6])-[C;H0;D3;+0:7](=[CH;D2;+0:8]-[c:9])-[C:10](=[O;D1;H0:11])-[#8:12]-1.[C:13]#[CH;D1;+0:14] e8dbf99acc8288654c1aab6d9fff43f62f6fd9feeefe9fa5e000edfe5d2e3db2 [CH3:1][c:2]1[cH:3][c:4]([CH:5]=[C:14]2[C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[O:21][C:22]2=[O:23])[cH:24][cH:25][cH:26]1.[CH:6]#[C:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1>CC(=O)O.CC(=O)O.ClCCl.O.O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[Cu+2].[Na+]>[CH3:1][c:2]1[cH:3][c:4]([C@@H:5]([C:6]#[C:7][c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[CH:14]2[C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[O:21][C:22]2=[O:23])[cH:24][cH:25][cH:26]1 SNYBZAWSAUZRMZ-UHFFFAOYSA-N.UEXCJVNBTNXOEH-UHFFFAOYSA-N>>VYPWDLRJQBPEIR-GOSISDBHSA-N 0.0 Unrecognized False reagent controlled True [C:13]#[C;H0;D2;+0:14]-[C@@H;D3;+0:8](-[c:9])-[CH;D3;+0:7]1-[C:5](=[O;D1;H0:6])-[#8:4]-[C:2](-[C;D1;H3:1])(-[C;D1;H3:3])-[#8:12]-[C:10]-1=[O;D1;H0:11]>>[C;D1;H3:1]-[C:2]1(-[C;D1;H3:3])-[#8:4]-[C:5](=[O;D1;H0:6])-[C;H0;D3;+0:7](=[CH;D2;+0:8]-[c:9])-[C:10](=[O;D1;H0:11])-[#8:12]-1.[C:13]#[CH;D1;+0:14] e8dbf99acc8288654c1aab6d9fff43f62f6fd9feeefe9fa5e000edfe5d2e3db2 [CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:7]=[C:16]2[C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[O:23][C:24]2=[O:25])[cH:26][cH:27]1.[CH:8]#[C:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1>CC(=O)O.CC(=O)O.ClCCl.O.O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[Cu+2].[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C@@H:7]([C:8]#[C:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH:16]2[C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[O:23][C:24]2=[O:25])[cH:26][cH:27]1 UEXCJVNBTNXOEH-UHFFFAOYSA-N.XVQBJKRSEOLQER-UHFFFAOYSA-N>>ITPCUUSFBYQMTH-GOSISDBHSA-N 0.0 Unrecognized False reagent controlled True [C:13]#[C;H0;D2;+0:14]-[C@@H;D3;+0:8](-[c:9])-[CH;D3;+0:7]1-[C:5](=[O;D1;H0:6])-[#8:4]-[C:2](-[C;D1;H3:1])(-[C;D1;H3:3])-[#8:12]-[C:10]-1=[O;D1;H0:11]>>[C;D1;H3:1]-[C:2]1(-[C;D1;H3:3])-[#8:4]-[C:5](=[O;D1;H0:6])-[C;H0;D3;+0:7](=[CH;D2;+0:8]-[c:9])-[C:10](=[O;D1;H0:11])-[#8:12]-1.[C:13]#[CH;D1;+0:14] e8dbf99acc8288654c1aab6d9fff43f62f6fd9feeefe9fa5e000edfe5d2e3db2 [CH3:1][C:2]1([CH3:3])[O:4][C:5](=[O:6])[C:7](=[CH:8][c:17]2[cH:18][cH:19][c:20]([Br:21])[cH:22][cH:23]2)[C:24](=[O:25])[O:26]1.[CH:9]#[C:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1>CC(=O)O.CC(=O)O.ClCCl.O.O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.[Cu+2].[Na+]>[CH3:1][C:2]1([CH3:3])[O:4][C:5](=[O:6])[CH:7]([C@H:8]([C:9]#[C:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:17]2[cH:18][cH:19][c:20]([Br:21])[cH:22][cH:23]2)[C:24](=[O:25])[O:26]1 BYJCZLGELPMDTC-UHFFFAOYSA-N.UEXCJVNBTNXOEH-UHFFFAOYSA-N>>UEFYTHPGJVUXQD-QGZVFWFLSA-N 0.0 Unrecognized False reagent controlled True [C:13]#[C;H0;D2;+0:14]-[C@@H;D3;+0:8](-[c:9])-[CH;D3;+0:7]1-[C:5](=[O;D1;H0:6])-[#8:4]-[C:2](-[C;D1;H3:1])(-[C;D1;H3:3])-[#8:12]-[C:10]-1=[O;D1;H0:11]>>[C;D1;H3:1]-[C:2]1(-[C;D1;H3:3])-[#8:4]-[C:5](=[O;D1;H0:6])-[C;H0;D3;+0:7](=[CH;D2;+0:8]-[c:9])-[C:10](=[O;D1;H0:11])-[#8:12]-1.[C:13]#[CH;D1;+0:14] e8dbf99acc8288654c1aab6d9fff43f62f6fd9feeefe9fa5e000edfe5d2e3db2 Br[CH2:5][c:4]1[cH:3][c:2]([CH3:1])[c:33]([F:34])[c:31]([CH3:32])[cH:30]1.[CH2:6]([CH2:7][CH2:8][CH2:9]/[CH:10]=[CH:11]/[CH:12]([CH3:13])[CH3:14])[C:15](=[O:16])[N:17]1[C:18](=[O:19])[O:20][CH2:21][C@H:22]1[CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][c:2]1[cH:3][c:4]([CH2:5][C@H:6]([CH2:7][CH2:8][CH2:9]/[CH:10]=[CH:11]/[CH:12]([CH3:13])[CH3:14])[C:15](=[O:16])[N:17]2[C:18](=[O:19])[O:20][CH2:21][C@H:22]2[CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:30][c:31]([CH3:32])[c:33]1[F:34] HMCBCXRNASRAFK-WGLAMXGCSA-N.VWOKJGNBUPEMGW-UHFFFAOYSA-N>>OUOJVAZGNKFIFR-OKRMSHOISA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[C:7])-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]-[C:4](=[O;D1;H0:5])-[CH2;D2;+0:6]-[C:7] f5b34d4e85989cf9c6bd7da35887728ff2172ffe1e9da70d2e850fb1076c7320 Br[CH2:5][c:4]1[cH:3][c:2]([CH3:1])[c:39]([F:40])[c:37]([CH3:38])[cH:36]1.[CH2:6]([CH2:7][CH2:8][CH2:9][CH2:10][O:11][CH2:12][c:13]1[cH:14][c:15]([CH3:16])[c:17]([F:18])[cH:19][cH:20]1)[C:21](=[O:22])[N:23]1[C:24](=[O:25])[O:26][CH2:27][C@H:28]1[CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][c:2]1[cH:3][c:4]([CH2:5][C@H:6]([CH2:7][CH2:8][CH2:9][CH2:10][O:11][CH2:12][c:13]2[cH:14][c:15]([CH3:16])[c:17]([F:18])[cH:19][cH:20]2)[C:21](=[O:22])[N:23]2[C:24](=[O:25])[O:26][CH2:27][C@H:28]2[CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:36][c:37]([CH3:38])[c:39]1[F:40] AUDKYAQCSDAPAC-OAQYLSRUSA-N.VWOKJGNBUPEMGW-UHFFFAOYSA-N>>QFPKBAVYXVJXLI-URLMMPGGSA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[C:7])-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]-[C:4](=[O;D1;H0:5])-[CH2;D2;+0:6]-[C:7] f5b34d4e85989cf9c6bd7da35887728ff2172ffe1e9da70d2e850fb1076c7320 Br[CH2:5][c:6]1[cH:7][c:8]([CH3:9])[c:10]([F:11])[c:12]([CH3:13])[cH:14]1.[CH2:1]=[CH:2][CH2:3][CH2:4][C:15](=[O:16])[N:17]1[C:18](=[O:19])[O:20][CH2:21][C@H:22]1[CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH2:1]=[CH:2][CH2:3][C@@H:4]([CH2:5][c:6]1[cH:7][c:8]([CH3:9])[c:10]([F:11])[c:12]([CH3:13])[cH:14]1)[C:15](=[O:16])[N:17]1[C:18](=[O:19])[O:20][CH2:21][C@H:22]1[CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1 VKEZZGBUHSYSJM-CYBMUJFWSA-N.VWOKJGNBUPEMGW-UHFFFAOYSA-N>>XYKTZOIFYNFQHJ-LEWJYISDSA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[C:7]-[C:8]=[C;D1;H2:9])-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]-[C:4](=[O;D1;H0:5])-[CH2;D2;+0:6]-[C:7]-[C:8]=[C;D1;H2:9] 02edf67ac50d98e145a68d5f9b92bf19c82828cbef69fc2cc6d19aed9ff9d2f8 Br[CH2:5][c:6]1[c:7]([Cl:8])[cH:9][c:10]([O:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:19][c:20]1[Cl:21].[CH2:1]=[CH:2][CH2:3][CH2:4][C:22](=[O:23])[N:24]1[C:25](=[O:26])[O:27][CH2:28][C@H:29]1[CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH2:1]=[CH:2][CH2:3][C@@H:4]([CH2:5][c:6]1[c:7]([Cl:8])[cH:9][c:10]([O:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:19][c:20]1[Cl:21])[C:22](=[O:23])[N:24]1[C:25](=[O:26])[O:27][CH2:28][C@H:29]1[CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1 GUXFHOKKFSZLTH-UHFFFAOYSA-N.VKEZZGBUHSYSJM-CYBMUJFWSA-N>>NNBFTSKHXAMHPF-XZOQPEGZSA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[C:7]-[C:8]=[C;D1;H2:9])-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]-[C:4](=[O;D1;H0:5])-[CH2;D2;+0:6]-[C:7]-[C:8]=[C;D1;H2:9] 02edf67ac50d98e145a68d5f9b92bf19c82828cbef69fc2cc6d19aed9ff9d2f8 [CH3:1][CH:2]([CH3:3])[O:4][CH2:5][C:6](=[O:7])[N:8]1[C:9](=[O:10])[O:11][CH2:12][C@@H:13]1[CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[CH:21](=[O:22])[c:23]1[cH:24][c:25]([O:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:34][cH:35][cH:36]1>CCCC[B+]CCCC.CCN(CC)CC.CO.Cc1ccccc1.ClCCl.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=P(O)(O)O.O=S(=O)(O)C(F)(F)F.OO.[Na+]>[CH3:1][CH:2]([CH3:3])[O:4][C@H:5]([C:6](=[O:7])[N:8]1[C:9](=[O:10])[O:11][CH2:12][C@@H:13]1[CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[C@H:21]([OH:22])[c:23]1[cH:24][c:25]([O:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:34][cH:35][cH:36]1 JAICGBJIBWDEIZ-UHFFFAOYSA-N.WLCITMKILUZREK-ZDUSSCGKSA-N>>IMHWHLQPFOMVPN-OIKPOIBNSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2](=[O;D1;H0:3])-[C@@H;D3;+0:4](-[#8:5])-[C@H;D3;+0:7](-[OH;D1;+0:6])-[c:8]>>[#7:1]-[C:2](=[O;D1;H0:3])-[CH2;D2;+0:4]-[#8:5].[O;H0;D1;+0:6]=[CH;D2;+0:7]-[c:8] 58d4fe80ba1c7a48ee1ec1c2337629c791732ab635be2fd1317597cb9bb5c92c [CH2:5]([CH3:6])[C:7](=[O:8])[N:9]1[C:10](=[O:11])[O:12][CH2:13][C@H:14]1[CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[CH3:1][CH2:2][CH:3]=[O:4]>CCCC[B+]CCCC.CCN(CC)CC.CO.ClCCl.ClCCl.O=P(O)(O)O.O=S(=O)(O)C(F)(F)F>[CH3:1][CH2:2][C@H:3]([OH:4])[C@@H:5]([CH3:6])[C:7](=[O:8])[N:9]1[C:10](=[O:11])[O:12][CH2:13][C@H:14]1[CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1 NBBJYMSMWIIQGU-UHFFFAOYSA-N.WHOBYFHKONUTMW-LLVKDONJSA-N>>JULRHESXGMBTKX-BNOWGMLFSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2](=[O;D1;H0:3])-[C@H;D3;+0:4](-[C;D1;H3:5])-[C@H;D3;+0:7](-[C:6])-[OH;D1;+0:8]>>[#7:1]-[C:2](=[O;D1;H0:3])-[CH2;D2;+0:4]-[C;D1;H3:5].[C:6]-[CH;D2;+0:7]=[O;H0;D1;+0:8] 202851e7107e88aaf33fb0ef9e104c04fb924fb7d1aad1dd5b4828e055719032 [O:1]=[C:2]([NH:3][CH2:4][C@@H:5]1[CH2:6][N:7]([C:8](=[O:9])[NH:10][c:11]2[c:12]([F:13])[cH:14][c:15](-[n:16]3[cH:17][cH:18][cH:19][cH:20][c:21]3=[O:22])[cH:23][cH:24]2)[CH2:25][C:26]1=[O:27])[c:28]1[cH:29][cH:30][c:31]([Cl:32])[s:33]1>C1CCOC1.B.[Na+]>[O:1]=[C:2]([NH:3][CH2:4][C@@H:5]1[CH2:6][N:7]([C:8](=[O:9])[NH:10][c:11]2[c:12]([F:13])[cH:14][c:15](-[n:16]3[cH:17][cH:18][cH:19][cH:20][c:21]3=[O:22])[cH:23][cH:24]2)[CH2:25][C@@H:26]1[OH:27])[c:28]1[cH:29][cH:30][c:31]([Cl:32])[s:33]1 OFXALTHXPRKQCO-CYBMUJFWSA-N>>XVFFFLIRENIVRG-DYVFJYSZSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] c7141aa1a34c4e147cfd9de52aa8c78fb066c1910e339995b420913d91a2e11a Br[C:6]([C:4]([O:3][CH2:2][CH3:1])=[O:5])([F:7])[F:8].[CH:9](=[O:10])[C@H:11]([CH3:12])[NH:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20]>C1CCOC1.Cl.[Zn]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6]([F:7])([F:8])[C@H:9]([OH:10])[C@H:11]([CH3:12])[NH:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20] IRSJDVYTJUCXRV-UHFFFAOYSA-N.OEQRZPWMXXJEKU-LURJTMIESA-N>>RQNPHHQJPXLSPW-JGVFFNPUSA-N 0.0 Unrecognized False substrate controlled False [C:9]-[C@@H;D3;+0:10](-[OH;D1;+0:11])-[C;H0;D4;+0:1](-[F;D1;H0:2])(-[F;D1;H0:3])-[C:4](=[O;D1;H0:5])-[#8:6]-[C:7]-[C;D1;H3:8]>>Br-[C;H0;D4;+0:1](-[F;D1;H0:2])(-[F;D1;H0:3])-[C:4](=[O;D1;H0:5])-[#8:6]-[C:7]-[C;D1;H3:8].[C:9]-[CH;D2;+0:10]=[O;H0;D1;+0:11] ed813bbc99bc5ad0429bda8f21628adc38c782e9370bfabe60ff4c0b0bb9535d Br[Mg][CH3:17].[CH3:1][C@@H:2]1[N:3]([C:4](=[O:5])[O:6][CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][CH2:15][C:16]1=[O:18]>C1CCOC1.CCOC(C)=O.CCOCC.[Ce+3].Cl.Cl.Cl>[CH3:1][C@@H:2]1[N:3]([C:4](=[O:5])[O:6][CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][CH2:15][C@:16]1([CH3:17])[OH:18] AVFUHBJCUUTGCD-UHFFFAOYSA-M.SXRCSLUPXCTDRP-JTQLQIEISA-N>>DJJURHVVZDSNSM-FZMZJTMJSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3]-[C@@;H0;D4;+0:4](-[C:5])(-[CH3;D1;+0:1])-[OH;D1;+0:6]>>Br-[Mg]-[CH3;D1;+0:1].[#7:2]-[C:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 806ce87791e272e3388318574e176caaf25f8e49cd656cfb3e11b2cbdab07333 CC(=O)[CH3:7].CC(C)(C)O[C:5]([NH:4][C@@H:3]([CH2:2][CH3:1])[C:8]([CH3:9])=[O:10])=[O:6]>C1CCOC1.CC(C)NC(C)C.CCOC(C)=O.O=C=O.Cl.N>[CH3:1][CH2:2][C@@H:3]1[NH:4][C:5](=[O:6])[CH2:7][C@:8]1([CH3:9])[OH:10] CSCPPACGZOOCGX-UHFFFAOYSA-N.OYMVICMFVPPYRS-QMMMGPOBSA-N>>XCXIBIGFHXPUOR-FSPLSTOPSA-N 0.0 Unrecognized True substrate controlled False [O;H0;D1;+0:2]=[C;H0;D3;+0:1]1-[CH2;D2;+0:7]-[C@;H0;D4;+0:5](-[OH;D1;+0:6])-[C@H;D3;+0:4]-[NH;D2;+0:3]-1>>C-C(-C)(-C)-O-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[NH;D2;+0:3]-[C@@H;D3;+0:4]-[C;H0;D3;+0:5]=[O;H0;D1;+0:6].C-C(=O)-[CH3;D1;+0:7] 9e549238af6ca5829e89fe891f256e7ec8b132858a45f46a4f1dc78dbd1b8eaf CC(=O)[CH3:6].CC(C)(C)O[C:4]([NH:3][C@@H:2]([CH3:1])[C:7](=[O:8])[CH:9]1[CH2:10][CH2:11]1)=[O:5]>C1CCOC1.CC(C)NC(C)C.CCOC(C)=O.O=C=O.Cl.N>[CH3:1][C@@H:2]1[NH:3][C:4](=[O:5])[CH2:6][C@@:7]1([OH:8])[CH:9]1[CH2:10][CH2:11]1 CSCPPACGZOOCGX-UHFFFAOYSA-N.KVVCZGFRDWDUQC-ZETCQYMHSA-N>>IJZQRVBVNFZWAR-XNCJUZBTSA-N 0.0 Unrecognized True substrate controlled False [O;H0;D1;+0:2]=[C;H0;D3;+0:1]1-[CH2;D2;+0:7]-[C@;H0;D4;+0:5](-[OH;D1;+0:6])-[C@H;D3;+0:4]-[NH;D2;+0:3]-1>>C-C(-C)(-C)-O-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[NH;D2;+0:3]-[C@@H;D3;+0:4]-[C;H0;D3;+0:5]=[O;H0;D1;+0:6].C-C(=O)-[CH3;D1;+0:7] 9e549238af6ca5829e89fe891f256e7ec8b132858a45f46a4f1dc78dbd1b8eaf CC(=O)[CH3:7].CC(C)(C)O[C:5]([NH:4][C@@H:3]([CH2:2][CH3:1])[C:8](=[O:9])[CH:10]1[CH2:11][CH2:12]1)=[O:6]>C1CCOC1.CC(C)NC(C)C.CCOC(C)=O.O=C=O.Cl.N>[CH3:1][CH2:2][C@@H:3]1[NH:4][C:5](=[O:6])[CH2:7][C@@:8]1([OH:9])[CH:10]1[CH2:11][CH2:12]1 CSCPPACGZOOCGX-UHFFFAOYSA-N.VLLMYLUGKCRRRG-VIFPVBQESA-N>>KRMAIMJNLZCWRZ-IONNQARKSA-N 0.0 Unrecognized True substrate controlled False [O;H0;D1;+0:2]=[C;H0;D3;+0:1]1-[CH2;D2;+0:7]-[C@;H0;D4;+0:5](-[OH;D1;+0:6])-[C@H;D3;+0:4]-[NH;D2;+0:3]-1>>C-C(-C)(-C)-O-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[NH;D2;+0:3]-[C@@H;D3;+0:4]-[C;H0;D3;+0:5]=[O;H0;D1;+0:6].C-C(=O)-[CH3;D1;+0:7] 9e549238af6ca5829e89fe891f256e7ec8b132858a45f46a4f1dc78dbd1b8eaf I[CH3:1].[CH2:2]1[C:3](=[O:4])[N:5]([c:6]2[cH:7][c:8]([Cl:9])[c:10]([C:11]#[N:12])[cH:13][cH:14]2)[C@@H:15]([CH3:16])[C@H:17]1[OH:18]>C1CCOC1.CC(=O)O.CC(C)NC(C)C.O>[CH3:1][C@@H:2]1[C:3](=[O:4])[N:5]([c:6]2[cH:7][c:8]([Cl:9])[c:10]([C:11]#[N:12])[cH:13][cH:14]2)[C@@H:15]([CH3:16])[C@H:17]1[OH:18] DARLYICVLXBOGY-CPCISQLKSA-N.INQOMBQAUSQDDS-UHFFFAOYSA-N>>AUDMXKQQALSKPO-UBJUHAIHSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[C:6])-[CH3;D1;+0:1]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[C:6] 1abceb940cba10f04869aeff5bb4b0519820a1810b071eb0c21b4cc2df4255c1 Br[CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[CH3:1][C@H:2]1[C@@H:3]([OH:4])[CH2:5][C:13](=[O:14])[N:15]1[c:16]1[cH:17][c:18]([Cl:19])[c:20]([C:21]#[N:22])[cH:23][cH:24]1>C1CCOC1.CC(=O)O.CC(C)NC(C)C.O>[CH3:1][C@H:2]1[C@@H:3]([OH:4])[C@H:5]([CH2:6][c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[C:13](=[O:14])[N:15]1[c:16]1[cH:17][c:18]([Cl:19])[c:20]([C:21]#[N:22])[cH:23][cH:24]1 AGEZXYOZHKGVCM-UHFFFAOYSA-N.DARLYICVLXBOGY-CPCISQLKSA-N>>IWBXUEKYWMDNQJ-ULFGMLNVSA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4](=[O;D1;H0:5])-[C@H;D3;+0:6](-[C:7])-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]-[C:4](=[O;D1;H0:5])-[CH2;D2;+0:6]-[C:7] f717a6f7d6abee5c7b03fb4673a3b91b5ec7e0735b8ea8d36594621e43988384 Br[CH2:4][C:2](=[CH2:1])[CH3:3].[CH2:5]1[C:6](=[O:7])[N:8]([c:9]2[cH:10][c:11]([Cl:12])[c:13]([C:14]#[N:15])[cH:16][cH:17]2)[C@@H:18]([CH3:19])[C@H:20]1[OH:21]>C1CCOC1.CC(=O)O.CC(C)NC(C)C.O>[CH2:1]=[C:2]([CH3:3])[CH2:4][C@@H:5]1[C:6](=[O:7])[N:8]([c:9]2[cH:10][c:11]([Cl:12])[c:13]([C:14]#[N:15])[cH:16][cH:17]2)[C@@H:18]([CH3:19])[C@H:20]1[OH:21] DARLYICVLXBOGY-CPCISQLKSA-N.USEGQJLHQSTGHW-UHFFFAOYSA-N>>ZXTOXQJYTADSRX-VZJVUDMVSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3]>>Br-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3].[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 42181a6356d577596039c200ae5f750211582bc9cf6ade255d2ea9d2dd6ad309 I[CH3:1].[CH2:2]1[C:3](=[O:4])[N:5]([c:6]2[cH:7][c:8]([C:9]([F:10])([F:11])[F:12])[c:13]([C:14]#[N:15])[cH:16][cH:17]2)[C@@H:18]([CH3:19])[C@H:20]1[OH:21]>C1CCOC1.CC(=O)O.CC(C)NC(C)C.O>[CH3:1][C@@H:2]1[C:3](=[O:4])[N:5]([c:6]2[cH:7][c:8]([C:9]([F:10])([F:11])[F:12])[c:13]([C:14]#[N:15])[cH:16][cH:17]2)[C@@H:18]([CH3:19])[C@H:20]1[OH:21] INQOMBQAUSQDDS-UHFFFAOYSA-N.VNALDPLAHQSADD-CPCISQLKSA-N>>FQWNRNALXHXTGJ-UBJUHAIHSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[C:6])-[CH3;D1;+0:1]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[C:6] 1abceb940cba10f04869aeff5bb4b0519820a1810b071eb0c21b4cc2df4255c1 I[CH3:7].[CH3:1][CH2:2][C@H:3]1[C@H:4]([OH:5])[CH2:6][C:8](=[O:9])[N:10]1[c:11]1[cH:12][c:13]([Cl:14])[c:15]([C:16]#[N:17])[cH:18][cH:19]1>C1CCOC1.CC(C)NC(C)C.O>[CH3:1][CH2:2][C@H:3]1[C@H:4]([OH:5])[C@@H:6]([CH3:7])[C:8](=[O:9])[N:10]1[c:11]1[cH:12][c:13]([Cl:14])[c:15]([C:16]#[N:17])[cH:18][cH:19]1 CVAGOWUXEANSJG-NWDGAFQWSA-N.INQOMBQAUSQDDS-UHFFFAOYSA-N>>SHAOFUWVZYWFRX-OXHMUOHRSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[C:6])-[CH3;D1;+0:1]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[C:6] ca1f6858c2397350d90e61899db160ccc8e0bb6d6e21e9a85751a6d6be5df360 I[CH3:7].[CH3:1][CH2:2][C@H:3]1[C@@H:4]([OH:5])[CH2:6][C:8](=[O:9])[N:10]1[c:11]1[cH:12][c:13]([Cl:14])[c:15]([C:16]#[N:17])[cH:18][cH:19]1>C1CCOC1.CC(=O)O.CC(C)NC(C)C.O>[CH3:1][CH2:2][C@H:3]1[C@@H:4]([OH:5])[C@H:6]([CH3:7])[C:8](=[O:9])[N:10]1[c:11]1[cH:12][c:13]([Cl:14])[c:15]([C:16]#[N:17])[cH:18][cH:19]1 CVAGOWUXEANSJG-RYUDHWBXSA-N.INQOMBQAUSQDDS-UHFFFAOYSA-N>>SHAOFUWVZYWFRX-HJIKLVIJSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[C:6])-[CH3;D1;+0:1]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[C:6] 1abceb940cba10f04869aeff5bb4b0519820a1810b071eb0c21b4cc2df4255c1 I[CH3:7].[CH3:1][CH2:2][C@H:3]1[C@@H:4]([OH:5])[CH2:6][C:8](=[O:9])[N:10]1[c:11]1[cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[c:18]([C:19]#[N:20])[cH:21][cH:22]1>C1CCOC1.CC(C)NC(C)C.Cl.N>[CH3:1][CH2:2][C@H:3]1[C@@H:4]([OH:5])[C@H:6]([CH3:7])[C:8](=[O:9])[N:10]1[c:11]1[cH:12][c:13]([C:14]([F:15])([F:16])[F:17])[c:18]([C:19]#[N:20])[cH:21][cH:22]1 INQOMBQAUSQDDS-UHFFFAOYSA-N.LJQBTMVNFWIQQC-RYUDHWBXSA-N>>HIPWNVHWOIUICW-HJIKLVIJSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[C:6])-[CH3;D1;+0:1]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[C:6] 1abceb940cba10f04869aeff5bb4b0519820a1810b071eb0c21b4cc2df4255c1 I[CH3:7].[CH3:1][CH2:2][C@H:3]1[C@@H:4]([OH:5])[CH2:6][C:8](=[O:9])[N:10]1[c:11]1[cH:12][c:13]([O:14][CH3:15])[c:16]([C:17]#[N:18])[cH:19][cH:20]1>C1CCOC1.CC(C)NC(C)C.Cl.N>[CH3:1][CH2:2][C@H:3]1[C@@H:4]([OH:5])[C@H:6]([CH3:7])[C:8](=[O:9])[N:10]1[c:11]1[cH:12][c:13]([O:14][CH3:15])[c:16]([C:17]#[N:18])[cH:19][cH:20]1 INQOMBQAUSQDDS-UHFFFAOYSA-N.UADPILRJQDAKRH-RYUDHWBXSA-N>>HKYPITXARJSFNN-WFBYXXMGSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[C:6])-[CH3;D1;+0:1]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[C:6] 1abceb940cba10f04869aeff5bb4b0519820a1810b071eb0c21b4cc2df4255c1 Br[c:6]1[cH:7][c:8]([CH2:9][c:10]2[cH:11][cH:12][c:13]([O:14][CH2:15][CH2:16][O:17][CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22]3)[cH:23][cH:24]2)[c:25]([Cl:26])[cH:27][cH:28]1.C[Si](C)(C)[O:1][CH2:2][C@H:3]1[O:4][C:5](=O)[C@H:29]([O:30][Si](C)(C)C)[C@@H:31]([O:32][Si](C)(C)C)[C@@H:33]1[O:34][Si](C)(C)C>C1CCOC1.Cc1ccccc1.Cc1ccccc1.[Li]CCCC>[OH:1][CH2:2][C@H:3]1[O:4][C@@H:5]([c:6]2[cH:7][c:8]([CH2:9][c:10]3[cH:11][cH:12][c:13]([O:14][CH2:15][CH2:16][O:17][CH:18]4[CH2:19][CH2:20][CH2:21][CH2:22]4)[cH:23][cH:24]3)[c:25]([Cl:26])[cH:27][cH:28]2)[C@H:29]([OH:30])[C@@H:31]([OH:32])[C@@H:33]1[OH:34] KPJBSGOTAIFKOG-UHFFFAOYSA-N.VNGTZLYNGGLPIZ-WCXIOVBPSA-N>>WQHQGECQHKTVOS-RTJMFUJLSA-N 0.0 Unrecognized False substrate controlled False [OH;D1;+0:4]-[C:5]-[C:6]1-[#8:7]-[C@@H;D3;+0:8](-[c;H0;D3;+0:1](:[c:2]):[c:3])-[C:9](-[OH;D1;+0:10])-[C:11](-[OH;D1;+0:12])-[C:13]-1-[OH;D1;+0:14]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].C-[Si](-C)(-C)-[O;H0;D2;+0:4]-[C:5]-[C:6]1-[#8:7]-[C;H0;D3;+0:8](=O)-[C:9](-[O;H0;D2;+0:10]-[Si](-C)(-C)-C)-[C:11](-[O;H0;D2;+0:12]-[Si](-C)(-C)-C)-[C:13]-1-[O;H0;D2;+0:14]-[Si](-C)(-C)-C 3aac873876365143e970f469573503b456be08d55e8cc463d3569e056e2114a8 Br[c:6]1[cH:7][c:8]([CH2:9][c:10]2[cH:11][cH:12][c:13]([O:14][CH2:15][CH2:16][O:17][CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]3)[cH:24][cH:25]2)[c:26]([Cl:27])[cH:28][cH:29]1.C[Si](C)(C)[O:1][CH2:2][C@H:3]1[O:4][C:5](=O)[C@H:30]([O:31][Si](C)(C)C)[C@@H:32]([O:33][Si](C)(C)C)[C@@H:34]1[O:35][Si](C)(C)C>C1CCOC1.CCOCC.CC[SiH](CC)CC.Cc1ccccc1.Cc1ccccc1.FB(F)F.[Li]CCCC>[OH:1][CH2:2][C@H:3]1[O:4][C@@H:5]([c:6]2[cH:7][c:8]([CH2:9][c:10]3[cH:11][cH:12][c:13]([O:14][CH2:15][CH2:16][O:17][CH:18]4[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]4)[cH:24][cH:25]3)[c:26]([Cl:27])[cH:28][cH:29]2)[C@H:30]([OH:31])[C@@H:32]([OH:33])[C@@H:34]1[OH:35] JRVQWLKLQDTFKP-UHFFFAOYSA-N.VNGTZLYNGGLPIZ-WCXIOVBPSA-N>>PFPDGTCGMHMTSH-SEFGFODJSA-N 0.0 Unrecognized False substrate controlled False [OH;D1;+0:4]-[C:5]-[C:6]1-[#8:7]-[C@@H;D3;+0:8](-[c;H0;D3;+0:1](:[c:2]):[c:3])-[C:9](-[OH;D1;+0:10])-[C:11](-[OH;D1;+0:12])-[C:13]-1-[OH;D1;+0:14]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].C-[Si](-C)(-C)-[O;H0;D2;+0:4]-[C:5]-[C:6]1-[#8:7]-[C;H0;D3;+0:8](=O)-[C:9](-[O;H0;D2;+0:10]-[Si](-C)(-C)-C)-[C:11](-[O;H0;D2;+0:12]-[Si](-C)(-C)-C)-[C:13]-1-[O;H0;D2;+0:14]-[Si](-C)(-C)-C 3aac873876365143e970f469573503b456be08d55e8cc463d3569e056e2114a8 Br[c:6]1[cH:7][c:8]([CH2:9][c:10]2[cH:11][cH:12][c:13]([O:14][CH2:15][CH2:16][O:17][CH:18]3[CH2:19][CH2:20][CH2:21]3)[cH:22][cH:23]2)[c:24]([Cl:25])[cH:26][cH:27]1.C[Si](C)(C)[O:1][CH2:2][C@H:3]1[O:4][C:5](=O)[C@H:28]([O:29][Si](C)(C)C)[C@@H:30]([O:31][Si](C)(C)C)[C@@H:32]1[O:33][Si](C)(C)C>C1CCOC1.CC#N.CCOCC.CC[SiH](CC)CC.Cc1ccccc1.Cc1ccccc1.ClCCl.FB(F)F.[Li]CCCC>[OH:1][CH2:2][C@H:3]1[O:4][C@@H:5]([c:6]2[cH:7][c:8]([CH2:9][c:10]3[cH:11][cH:12][c:13]([O:14][CH2:15][CH2:16][O:17][CH:18]4[CH2:19][CH2:20][CH2:21]4)[cH:22][cH:23]3)[c:24]([Cl:25])[cH:26][cH:27]2)[C@H:28]([OH:29])[C@@H:30]([OH:31])[C@@H:32]1[OH:33] BAQZEFYRNQRTTK-UHFFFAOYSA-N.VNGTZLYNGGLPIZ-WCXIOVBPSA-N>>GEKMJNUTSMVHIA-RXFVIIJJSA-N 0.0 Unrecognized False substrate controlled False [OH;D1;+0:4]-[C:5]-[C:6]1-[#8:7]-[C@@H;D3;+0:8](-[c;H0;D3;+0:1](:[c:2]):[c:3])-[C:9](-[OH;D1;+0:10])-[C:11](-[OH;D1;+0:12])-[C:13]-1-[OH;D1;+0:14]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].C-[Si](-C)(-C)-[O;H0;D2;+0:4]-[C:5]-[C:6]1-[#8:7]-[C;H0;D3;+0:8](=O)-[C:9](-[O;H0;D2;+0:10]-[Si](-C)(-C)-C)-[C:11](-[O;H0;D2;+0:12]-[Si](-C)(-C)-C)-[C:13]-1-[O;H0;D2;+0:14]-[Si](-C)(-C)-C 3aac873876365143e970f469573503b456be08d55e8cc463d3569e056e2114a8 Br[c:9]1[c:8]([O:7][CH2:6][CH2:5][O:4][CH2:3][CH:2]=[CH2:1])[cH:34][c:32]([Cl:33])[c:22]([CH2:23][c:24]2[cH:25][cH:26][c:27]([CH2:28][CH3:29])[cH:30][cH:31]2)[cH:21]1.C[Si](C)(C)[O:14][CH2:13][C@H:12]1[O:11][C:10](=O)[C@H:19]([O:20][Si](C)(C)C)[C@@H:17]([O:18][Si](C)(C)C)[C@@H:15]1[O:16][Si](C)(C)C>C1CCOC1.CC#N.CCOCC.CC[SiH](CC)CC.FB(F)F.[Li]CCCC>[CH2:1]=[CH:2][CH2:3][O:4][CH2:5][CH2:6][O:7][c:8]1[c:9]([C@@H:10]2[O:11][C@H:12]([CH2:13][OH:14])[C@@H:15]([OH:16])[C@H:17]([OH:18])[C@H:19]2[OH:20])[cH:21][c:22]([CH2:23][c:24]2[cH:25][cH:26][c:27]([CH2:28][CH3:29])[cH:30][cH:31]2)[c:32]([Cl:33])[cH:34]1 TXWCCCDMLPPHQP-UHFFFAOYSA-N.VNGTZLYNGGLPIZ-WCXIOVBPSA-N>>RSLWWYKYNFKPMZ-RTJMFUJLSA-N 0.0 Unrecognized False substrate controlled False [OH;D1;+0:4]-[C:5]-[C:6]1-[#8:7]-[C@@H;D3;+0:8](-[c;H0;D3;+0:1](:[c:2]):[c:3])-[C:9](-[OH;D1;+0:10])-[C:11](-[OH;D1;+0:12])-[C:13]-1-[OH;D1;+0:14]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].C-[Si](-C)(-C)-[O;H0;D2;+0:4]-[C:5]-[C:6]1-[#8:7]-[C;H0;D3;+0:8](=O)-[C:9](-[O;H0;D2;+0:10]-[Si](-C)(-C)-C)-[C:11](-[O;H0;D2;+0:12]-[Si](-C)(-C)-C)-[C:13]-1-[O;H0;D2;+0:14]-[Si](-C)(-C)-C 3aac873876365143e970f469573503b456be08d55e8cc463d3569e056e2114a8 Br[c:10]1[cH:9][c:8]([CH2:7][c:6]2[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:35][cH:34]2)[c:32]([Cl:33])[cH:31][c:22]1[O:23][CH2:24][CH2:25][O:26][C:27]([F:28])([F:29])[F:30].C[Si](C)(C)[O:15][CH2:14][C@H:13]1[O:12][C:11](=O)[C@H:20]([O:21][Si](C)(C)C)[C@@H:18]([O:19][Si](C)(C)C)[C@@H:16]1[O:17][Si](C)(C)C>C1CCOC1.CCOCC.CC[SiH](CC)CC.CS(=O)(=O)O.ClCCl.FB(F)F.[Li]CCCC>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][c:8]2[cH:9][c:10]([C@@H:11]3[O:12][C@H:13]([CH2:14][OH:15])[C@@H:16]([OH:17])[C@H:18]([OH:19])[C@H:20]3[OH:21])[c:22]([O:23][CH2:24][CH2:25][O:26][C:27]([F:28])([F:29])[F:30])[cH:31][c:32]2[Cl:33])[cH:34][cH:35]1 HWINAPLOIHTSOR-UHFFFAOYSA-N.VNGTZLYNGGLPIZ-WCXIOVBPSA-N>>NQTCLSQHLYGHJR-ZQGJOIPISA-N 0.0 Unrecognized False substrate controlled False [OH;D1;+0:4]-[C:5]-[C:6]1-[#8:7]-[C@@H;D3;+0:8](-[c;H0;D3;+0:1](:[c:2]):[c:3])-[C:9](-[OH;D1;+0:10])-[C:11](-[OH;D1;+0:12])-[C:13]-1-[OH;D1;+0:14]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].C-[Si](-C)(-C)-[O;H0;D2;+0:4]-[C:5]-[C:6]1-[#8:7]-[C;H0;D3;+0:8](=O)-[C:9](-[O;H0;D2;+0:10]-[Si](-C)(-C)-C)-[C:11](-[O;H0;D2;+0:12]-[Si](-C)(-C)-C)-[C:13]-1-[O;H0;D2;+0:14]-[Si](-C)(-C)-C 3aac873876365143e970f469573503b456be08d55e8cc463d3569e056e2114a8 Br[c:10]1[cH:9][c:8]([CH2:7][c:6]2[cH:5][cH:4][c:3]([CH2:2][CH3:1])[cH:36][cH:35]2)[c:33]([Cl:34])[cH:32][c:22]1[O:23][CH2:24][CH2:25][O:26][CH2:27][C:28]([F:29])([F:30])[F:31].C[Si](C)(C)[O:15][CH2:14][C@H:13]1[O:12][C:11](=O)[C@H:20]([O:21][Si](C)(C)C)[C@@H:18]([O:19][Si](C)(C)C)[C@@H:16]1[O:17][Si](C)(C)C>C1CCOC1.[Li]CCCC>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][c:8]2[cH:9][c:10]([C@@H:11]3[O:12][C@H:13]([CH2:14][OH:15])[C@@H:16]([OH:17])[C@H:18]([OH:19])[C@H:20]3[OH:21])[c:22]([O:23][CH2:24][CH2:25][O:26][CH2:27][C:28]([F:29])([F:30])[F:31])[cH:32][c:33]2[Cl:34])[cH:35][cH:36]1 DXNBCJOHDQLXOR-UHFFFAOYSA-N.VNGTZLYNGGLPIZ-WCXIOVBPSA-N>>BLNCUDTURUMUKI-SJSRKZJXSA-N 0.0 Unrecognized False substrate controlled False [OH;D1;+0:4]-[C:5]-[C:6]1-[#8:7]-[C@@H;D3;+0:8](-[c;H0;D3;+0:1](:[c:2]):[c:3])-[C:9](-[OH;D1;+0:10])-[C:11](-[OH;D1;+0:12])-[C:13]-1-[OH;D1;+0:14]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].C-[Si](-C)(-C)-[O;H0;D2;+0:4]-[C:5]-[C:6]1-[#8:7]-[C;H0;D3;+0:8](=O)-[C:9](-[O;H0;D2;+0:10]-[Si](-C)(-C)-C)-[C:11](-[O;H0;D2;+0:12]-[Si](-C)(-C)-C)-[C:13]-1-[O;H0;D2;+0:14]-[Si](-C)(-C)-C 3aac873876365143e970f469573503b456be08d55e8cc463d3569e056e2114a8 O=[CH:5][C@H:16]([OH:17])[C@@H:18]([OH:19])[C@@H:20]([C@@H:3]([CH2:2][OH:1])[OH:4])[OH:21].[NH:6]1[CH2:7][CH2:8][c:9]2[c:10]([F:11])[cH:12][cH:13][cH:14][c:15]21>CCO.O>[OH:1][CH2:2][C@H:3]1[O:4][C@@H:5]([N:6]2[CH2:7][CH2:8][c:9]3[c:10]([F:11])[cH:12][cH:13][cH:14][c:15]32)[C@H:16]([OH:17])[C@@H:18]([OH:19])[C@@H:20]1[OH:21] CMQOXZRRFDMQKY-UHFFFAOYSA-N.GZCGUPFRVQAUEE-SLPGGIOYSA-N>>IHHXPATWGIQEIK-RKQHYHRCSA-N 0.0 Unrecognized True substrate controlled False [N;H0;D3;+0:7]-[C@H;D3;+0:1]1-[C@H;D3;+0:2]-[C@@H;D3;+0:3]-[C@H;D3;+0:4]-[C@@H;D3;+0:5]-[O;H0;D2;+0:6]-1>>O=[CH;D2;+0:1]-[C@H;D3;+0:2]-[C@@H;D3;+0:3]-[C@@H;D3;+0:4]-[C@@H;D3;+0:5]-[OH;D1;+0:6].[NH;D2;+0:7] 55a5c480d3f67e2b0171931d66b7ad157d9b60399886c9768b3f7e589d7358b2 O=[CH:5][C@H:16]([OH:17])[C@@H:18]([OH:19])[C@@H:20]([C@@H:3]([CH2:2][OH:1])[OH:4])[OH:21].[NH:6]1[CH2:7][CH2:8][c:9]2[c:10]([Cl:11])[cH:12][cH:13][cH:14][c:15]21>CCO.O>[OH:1][CH2:2][C@H:3]1[O:4][C@@H:5]([N:6]2[CH2:7][CH2:8][c:9]3[c:10]([Cl:11])[cH:12][cH:13][cH:14][c:15]32)[C@H:16]([OH:17])[C@@H:18]([OH:19])[C@@H:20]1[OH:21] BBHMZHDPVNXFMI-UHFFFAOYSA-N.GZCGUPFRVQAUEE-SLPGGIOYSA-N>>QYXFIQLPIQWGQI-RKQHYHRCSA-N 0.0 Unrecognized True substrate controlled False [N;H0;D3;+0:7]-[C@H;D3;+0:1]1-[C@H;D3;+0:2]-[C@@H;D3;+0:3]-[C@H;D3;+0:4]-[C@@H;D3;+0:5]-[O;H0;D2;+0:6]-1>>O=[CH;D2;+0:1]-[C@H;D3;+0:2]-[C@@H;D3;+0:3]-[C@@H;D3;+0:4]-[C@@H;D3;+0:5]-[OH;D1;+0:6].[NH;D2;+0:7] 55a5c480d3f67e2b0171931d66b7ad157d9b60399886c9768b3f7e589d7358b2 Br[C@H:5]([CH2:6][CH:7]([CH3:8])[CH3:9])[C:10](=[O:11])[OH:12].[CH3:1][C:2]([OH:3])=[S:4]>C1CCC(NC2CCCCC2)CC1.CC(C)OC(C)C.CCOC(C)=O.CN(C)C=O.O=C(O)O.[Na+].[Na+]>[CH3:1][C:2](=[O:3])[S:4][C@@H:5]([CH2:6][CH:7]([CH3:8])[CH3:9])[C:10](=[O:11])[OH:12] DUYAAUVXQSMXQP-UHFFFAOYSA-N.NNFDHJQLIFECSR-RXMQYKEDSA-N>>JBFQRXOFTJJNEV-ZETCQYMHSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[S;H0;D2;+0:9]-[C;H0;D3;+0:7](-[C;D1;H3:6])=[O;H0;D1;+0:8])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>Br-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[C;D1;H3:6]-[C;H0;D3;+0:7](-[OH;D1;+0:8])=[S;H0;D1;+0:9] b462146b3f54be48bea64b24df7a464a41691c7466701d7e5454db696e32cb86 [CH3:1][O:2][C:3](=[O:4])[C@@H:5]1[CH2:6][CH2:7][C:8]([c:9]2[cH:10][cH:11][c:12]([NH:13][CH2:14][c:15]3[c:16]([F:17])[cH:18][cH:19][cH:20][cH:21]3)[cH:22][cH:23]2)=[N:24]1>CCOC(C)=O.[H][H]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]1[CH2:6][CH2:7][C@H:8]([c:9]2[cH:10][cH:11][c:12]([NH:13][CH2:14][c:15]3[c:16]([F:17])[cH:18][cH:19][cH:20][cH:21]3)[cH:22][cH:23]2)[NH:24]1 NQRXUCCBSWOVPQ-SFHVURJKSA-N>>MSDZIBDXZHGDHB-MSOLQXFVSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[NH;D2;+0:3]-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8])-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1>>[C:1]-[C;H0;D3;+0:2](=[N;H0;D2;+0:3]-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8])-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1 4523a0b82d66538985b99f29b43be4fd504c5d63530b8c14300c1ae2d78eeefb [CH3:1][O:2][C:3](=[O:4])[C@@H:5]1[CH2:6][CH2:7][C:8]([c:9]2[cH:10][c:11]([C:12]#[N:13])[c:14]([O:15][CH2:16][c:17]3[c:18]([F:19])[cH:20][cH:21][cH:22][cH:23]3)[cH:24][cH:25]2)=[N:26]1>CCOC(C)=O>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]1[CH2:6][CH2:7][C@H:8]([c:9]2[cH:10][c:11]([C:12]#[N:13])[c:14]([O:15][CH2:16][c:17]3[c:18]([F:19])[cH:20][cH:21][cH:22][cH:23]3)[cH:24][cH:25]2)[NH:26]1 LIYSSUMGVORIBD-SFHVURJKSA-N>>ZAVQAKPUOGURQF-MSOLQXFVSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[NH;D2;+0:3]-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8])-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1>>[C:1]-[C;H0;D3;+0:2](=[N;H0;D2;+0:3]-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8])-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1 4523a0b82d66538985b99f29b43be4fd504c5d63530b8c14300c1ae2d78eeefb [CH3:1][O:2][C:3](=[O:4])[C@@H:5]1[CH2:6][CH2:7][C:8]([c:9]2[cH:10][cH:11][c:12]([Br:13])[cH:14][cH:15]2)=[N:16]1>O=C(O)C(F)(F)F.[Pt]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]1[CH2:6][CH2:7][C@H:8]([c:9]2[cH:10][cH:11][c:12]([Br:13])[cH:14][cH:15]2)[NH:16]1 HOEVUVPLAMVYEY-NSHDSACASA-N>>YFVGAYZJPWJYFB-MNOVXSKESA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[NH;D2;+0:3]-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8])-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1>>[C:1]-[C;H0;D3;+0:2](=[N;H0;D2;+0:3]-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8])-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1 4523a0b82d66538985b99f29b43be4fd504c5d63530b8c14300c1ae2d78eeefb [CH3:1][CH2:2][C:3](=[O:4])[N:5]1[C:6](=[O:7])[O:8][CH2:9][C@@H:10]1[CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1.[CH:18](=[O:19])[c:20]1[cH:21][cH:22][c:23]([Cl:24])[cH:25][cH:26]1>>[CH3:1][C@@H:2]([C:3](=[O:4])[N:5]1[C:6](=[O:7])[O:8][CH2:9][C@@H:10]1[CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[C@@H:18]([OH:19])[c:20]1[cH:21][cH:22][c:23]([Cl:24])[cH:25][cH:26]1 AVPYQKSLYISFPO-UHFFFAOYSA-N.WHOBYFHKONUTMW-NSHDSACASA-N>>KRTRSHQTOICANO-JEBQAFNWSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2](=[O;D1;H0:3])-[C@H;D3;+0:4](-[C;D1;H3:5])-[C@@H;D3;+0:7](-[OH;D1;+0:6])-[c:8]>>[#7:1]-[C:2](=[O;D1;H0:3])-[CH2;D2;+0:4]-[C;D1;H3:5].[O;H0;D1;+0:6]=[CH;D2;+0:7]-[c:8] 9b8568f19605f80b5b0cefe33315721aabbacf364ead509b138de934082afc1c CC(C)c1cc(C(C)C)c(S(=O)(=O)[N:3]=[N+:2]=[N-:1])c(C(C)C)c1.[CH2:4]([C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[CH:20]([c:21]1[cH:22][cH:23][c:24]([Cl:25])[cH:26][cH:27]1)[c:28]1[cH:29][cH:30][c:31]([Cl:32])[cH:33][cH:34]1>C1CCOC1.CC(=O)O.C[Si](C)(C)N[Si](C)(C)C.[K+]>[N-:1]=[N+:2]=[N:3][C@H:4]([C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[CH:20]([c:21]1[cH:22][cH:23][c:24]([Cl:25])[cH:26][cH:27]1)[c:28]1[cH:29][cH:30][c:31]([Cl:32])[cH:33][cH:34]1 AEMWUHCKKDPRSK-UHFFFAOYSA-N.VMDGVVCZFUGRPC-QFIPXVFZSA-N>>WMRHOKNQEDMBHH-GMAHTHKFSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]>>C-C(-C)-c1:c:c(-C(-C)-C):c(-S(=O)(=O)-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]):c(-C(-C)-C):c:1.[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 5d62210582e8509f7297b5a975afcc5b3dde53629231d99da0265d38e21e8265 [CH3:1][CH2:2][C:3](=[O:4])[N:5]1[C:6](=[O:7])[O:8][CH2:9][C@@H:10]1[CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1.[CH:18](=[O:19])[c:20]1[cH:21][c:22]([Br:23])[cH:24][cH:25][cH:26]1>>[CH3:1][C@@H:2]([C:3](=[O:4])[N:5]1[C:6](=[O:7])[O:8][CH2:9][C@@H:10]1[CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[C@@H:18]([OH:19])[c:20]1[cH:21][c:22]([Br:23])[cH:24][cH:25][cH:26]1 SUISZCALMBHJQX-UHFFFAOYSA-N.WHOBYFHKONUTMW-NSHDSACASA-N>>CNKQYCVSWVNQAV-JEBQAFNWSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2](=[O;D1;H0:3])-[C@H;D3;+0:4](-[C;D1;H3:5])-[C@@H;D3;+0:7](-[OH;D1;+0:6])-[c:8]>>[#7:1]-[C:2](=[O;D1;H0:3])-[CH2;D2;+0:4]-[C;D1;H3:5].[O;H0;D1;+0:6]=[CH;D2;+0:7]-[c:8] 9b8568f19605f80b5b0cefe33315721aabbacf364ead509b138de934082afc1c Cl[C@@H:5]([C:3]([O:2][CH3:1])=[O:4])[CH3:6].[OH:7][c:8]1[c:9]2[c:10]([CH3:11])[c:12]([CH2:13][c:14]3[c:15]([Cl:16])[cH:17][c:18]([Cl:19])[cH:20][cH:21]3)[c:22](=[O:23])[nH:24][c:25]2[c:26]([F:27])[cH:28][cH:29]1>CN(C)C=O.O.O=C(O)O.[K+].[K+]>[CH3:1][O:2][C:3](=[O:4])[C@H:5]([CH3:6])[O:7][c:8]1[c:9]2[c:10]([CH3:11])[c:12]([CH2:13][c:14]3[c:15]([Cl:16])[cH:17][c:18]([Cl:19])[cH:20][cH:21]3)[c:22](=[O:23])[nH:24][c:25]2[c:26]([F:27])[cH:28][cH:29]1 CVGMNBPRMVPLGU-UHFFFAOYSA-N.JLEJCNOTNLZCHQ-GSVOUGTGSA-N>>XJDRGHSKYRVQCF-NSHDSACASA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:6]-[#8:5]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:1](-[C;D1;H3:2])-[O;H0;D2;+0:7]-[c:8]>>Cl-[C@H;D3;+0:1](-[C;D1;H3:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C;D1;H3:6].[OH;D1;+0:7]-[c:8] 02b655405cbd9d648c5c64a0ae35b0cd17dea586203fa4a3ff56fc79328f423f Cl[C@@H:5]([C:3]([O:2][CH3:1])=[O:4])[CH3:6].[OH:7][c:8]1[cH:9][c:10]([NH2:11])[c:12]([F:13])[cH:14][cH:15]1>CN(C)C=O.Cl.[HH].N.[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@H:5]([CH3:6])[O:7][c:8]1[cH:9][c:10]([NH2:11])[c:12]([F:13])[cH:14][cH:15]1 JLEJCNOTNLZCHQ-GSVOUGTGSA-N.VJCSFNNTQGRAKH-UHFFFAOYSA-N>>JWNJGWPCLYPSOV-LURJTMIESA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:6]-[#8:5]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:1](-[C;D1;H3:2])-[O;H0;D2;+0:7]-[c:8]>>Cl-[C@H;D3;+0:1](-[C;D1;H3:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C;D1;H3:6].[OH;D1;+0:7]-[c:8] 02b655405cbd9d648c5c64a0ae35b0cd17dea586203fa4a3ff56fc79328f423f I[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25].[CH3:1][O:2][C:3]1=[N:4][C@H:5]([CH:6]([CH3:7])[CH3:8])[C:9]([O:10][CH3:11])=[N:12][CH2:13]1>C1CCOC1.[Li]CCCC>[CH3:1][O:2][C:3]1=[N:4][C@H:5]([CH:6]([CH3:7])[CH3:8])[C:9]([O:10][CH3:11])=[N:12][C@H:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25] FCFWEOGTZZPCTO-MRVPVSSYSA-N.MNNOXJIFTSBCFQ-UHFFFAOYSA-N>>BOHWNVJACUJZQT-GOEBONIOSA-N 0.0 Unrecognized False substrate controlled False [#7:3]=[C:4]-[C@@H;D3;+0:5](-[#7:6]=[C:7])-[CH2;D2;+0:1]-[C:2]>>I-[CH2;D2;+0:1]-[C:2].[#7:3]=[C:4]-[CH2;D2;+0:5]-[#7:6]=[C:7] f772ab2b2472b265f28f8e53a7eb9edf17975d1adebadc0177f17e8dbaaa2e59 [CH2:1]=[CH:2][CH2:3][C@@H:4]([NH:5][C:6](=[O:7])[O:8][CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[C:16](=[O:17])[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.[Li+]>[CH2:1]=[CH:2][CH2:3][C@@H:4]([NH:5][C:6](=[O:7])[O:8][CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[C@H:16]([OH:17])[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1 BNMGAWSBNBXRFM-QGZVFWFLSA-N>>KCAXLLBYEUESIS-QZTJIDSGSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c Cl[Mg][CH2:10][CH2:11][CH2:12][CH2:13][O:14][CH3:15].[CH3:1][CH2:2][c:3]1[c:4]([O:5][c:6]2[c:7]([C:8](=[O:9])[C@@H:16]3[CH2:17][CH2:18][CH2:19][N:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:28]3)[cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34][cH:35][cH:36]1>C1CCOC1>[CH3:1][CH2:2][c:3]1[c:4]([O:5][c:6]2[c:7]([C@:8]([OH:9])([CH2:10][CH2:11][CH2:12][CH2:13][O:14][CH3:15])[C@@H:16]3[CH2:17][CH2:18][CH2:19][N:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:28]3)[cH:29][cH:30][cH:31][cH:32]2)[cH:33][cH:34][cH:35][cH:36]1 HTJCVVLVIRGHJP-LJQANCHMSA-N.QCIPGWRSPIFAAB-UHFFFAOYSA-M>>VVQDOEHIIKOLRB-HLADLETHSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@@;H0;D4;+0:4](-[C:3])(-[OH;D1;+0:5])-[c:6]>>Cl-[Mg]-[CH2;D2;+0:1]-[C:2].[C:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[c:6] 9350ac5007752dafe80f3b1c1f4b7a7c1e44a921a081de76c8202d6f0d24cdab [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][CH:11]1[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1)[C:17](=[O:18])[CH2:19][Cl:20]>C1CCOC1.O.B.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][CH:11]1[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]1)[C@H:17]([OH:18])[CH2:19][Cl:20] GUVFPQTUINZQFS-LBPRGKRZSA-N>>MBFGVYRGSPHWRM-QWHCGFSZSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 O[C@H:12]1[CH2:13][C@H:14]2[CH2:15][CH2:16][C@@H:17]1[CH2:18]2.[O:1]=[C:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[C:9](=[O:10])[NH:11]1>C1CCOC1.CCOC(=O)/N=N/C(=O)OCC.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[O:1]=[C:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[C:9](=[O:10])[N:11]1[C@@H:12]1[CH2:13][C@H:14]2[CH2:15][CH2:16][C@@H:17]1[CH2:18]2 XKJCHHZQLQNZHY-UHFFFAOYSA-N.ZQTYQMYDIHMKQB-XVMARJQXSA-N>>NTGHOUCYJCXRFM-OPQQBVKSSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C:3])-[N;H0;D3;+0:6]1-[C:7](=[O;D1;H0:8])-[c:9]2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2-[C:5]-1=[O;D1;H0:4]>>O-[C@@H;D3;+0:1](-[C:2])-[C:3].[O;D1;H0:4]=[C:5]1-[NH;D2;+0:6]-[C:7](=[O;D1;H0:8])-[c:9]2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2-1 02a886d832aae308fc32aede35a06c83c07e9a2be5d99a7d8b68eccf21ccbbed CS(=O)(=O)O[C@H:4]1[CH2:5][CH2:6][O:7][C@@H:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:15]1.[N-:1]=[N+:2]=[N-:3]>CN(C)C=O.ClCCl.[Na+]>[N-:1]=[N+:2]=[N:3][C@@H:4]1[CH2:5][CH2:6][O:7][C@@H:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:15]1 HRSDOUOTCOXJKH-NWDGAFQWSA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>ORRBTGOHHOUFCN-GHMZBOCLSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] e79cd9ff929b7823a9a1d3ebd47f2eb0444b747171361724dee4b1aadfcac2ef [O:1]=[C:2]([NH:3][C@@H:4]1[CH2:5][CH2:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]21)[C:15]([F:16])([F:17])[F:18]>CCOC(C)=O.CN(C)C=O>[O:1]=[C:2]([NH:3][C@@H:4]1[CH2:5][CH2:6][C@@H:7]([OH:8])[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]21)[C:15]([F:16])([F:17])[F:18] KDYIVXBRLQJKII-SECBINFHSA-N>>AXJYCNKOMPOOHT-NXEZZACHSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1-[C@@H;D3;+0:9](-[C:10])-[OH;D1;+0:11]>>[#7:1]-[C:2]-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1-[C;H0;D3;+0:9](-[C:10])=[O;H0;D1;+0:11] 090621e4c35ee5b205f14f32becef21241843107894831ab155f345ad9d11f30 O=P(c1ccccc1)(c1ccccc1)[N:3]=[N+:2]=[N-:1].O[C@H:4]1[CH2:5][CH2:6][CH2:7][c:8]2[cH:9][cH:10][c:11]([F:12])[cH:13][c:14]21>C1CCC2=NCCCN2CC1.Cc1ccccc1.ClCCl>[N-:1]=[N+:2]=[N:3][C@@H:4]1[CH2:5][CH2:6][CH2:7][c:8]2[cH:9][cH:10][c:11]([F:12])[cH:13][c:14]21 MKRTXPORKIRPDG-UHFFFAOYSA-N.QNORPDDVMCJPRL-JTQLQIEISA-N>>GUFXLROOZCJCDQ-SNVBAGLBSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].O=P(-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6])(-c1:c:c:c:c:c:1)-c1:c:c:c:c:c:1 ab6024695fd701762ae9e20213f5206f982841807bb21b41ca56b06d668bb63c [O:1]=[C:2]([NH:3][C@@H:4]1[CH2:5][CH2:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][c:12]([F:13])[cH:14][c:15]21)[C:16]([F:17])([F:18])[F:19]>CCN(CC)CC.CN(C)C=O.O=CO>[O:1]=[C:2]([NH:3][C@@H:4]1[CH2:5][CH2:6][C@@H:7]([OH:8])[c:9]2[cH:10][cH:11][c:12]([F:13])[cH:14][c:15]21)[C:16]([F:17])([F:18])[F:19] LJJDKEMSPLGAOV-SECBINFHSA-N>>IAVJGJFUPVFGMZ-NXEZZACHSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1-[C@@H;D3;+0:9](-[C:10])-[OH;D1;+0:11]>>[#7:1]-[C:2]-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1-[C;H0;D3;+0:9](-[C:10])=[O;H0;D1;+0:11] 090621e4c35ee5b205f14f32becef21241843107894831ab155f345ad9d11f30 [CH3:1][c:2]1[c:3]2[c:8]([cH:9][cH:10][cH:11]1)[C:6](=[O:7])[CH2:5][CH2:4]2>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CO.CSC>[CH3:1][c:2]1[c:3]2[c:8]([cH:9][cH:10][cH:11]1)[C@H:6]([OH:7])[CH2:5][CH2:4]2 RUORWXQKVXTQJJ-UHFFFAOYSA-N>>JTUTZTVFJIHGGX-SNVBAGLBSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]1[CH2:7][C:8](=[O:9])[CH2:10][C@H:11]1[C:12](=[O:13])[NH:14][CH2:15][C:16]#[N:17]>C1CCOC1.CN(C)C=O.B.[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]1[CH2:7][C@H:8]([OH:9])[CH2:10][C@H:11]1[C:12](=[O:13])[NH:14][CH2:15][C:16]#[N:17] ISHCSCAZWNAOSU-RKDXNWHRSA-N>>BMIIAHKJUOAYTG-IWSPIJDZSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C:2]1=[C:3]([c:4]2[n:5][cH:6][cH:7][cH:8][cH:9]2)[CH2:10][CH2:11][C:12]1=[O:13]>B.C1CCOC1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12>[CH3:1][C:2]1=[C:3]([c:4]2[n:5][cH:6][cH:7][cH:8][cH:9]2)[CH2:10][CH2:11][C@@H:12]1[OH:13] RRDVDMDPKIMITP-UHFFFAOYSA-N>>BTEYDTPYGSMSKH-NSHDSACASA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]=[C:5]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]=[C:5] 30b58d787d9916ad48be3323fde35e4d1c60b573ffde717577d2f36c035f619a I[CH3:8].[CH2:1]=[C:2]([CH3:3])[CH2:4][CH2:5][CH2:6][CH2:7][C:9](=[O:10])[N:11]1[C:12](=[O:13])[O:14][CH2:15][C@@H:16]1[CH:17]([CH3:18])[CH3:19]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Na]>[CH2:1]=[C:2]([CH3:3])[CH2:4][CH2:5][CH2:6][C@H:7]([CH3:8])[C:9](=[O:10])[N:11]1[C:12](=[O:13])[O:14][CH2:15][C@@H:16]1[CH:17]([CH3:18])[CH3:19] COCZPACCGJGRAU-GFCCVEGCSA-N.INQOMBQAUSQDDS-UHFFFAOYSA-N>>MJGDRDVZQJGWRC-QWHCGFSZSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[C:6])-[CH3;D1;+0:1]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[C:6] 1abceb940cba10f04869aeff5bb4b0519820a1810b071eb0c21b4cc2df4255c1 [CH3:1][O:2][c:3]1[c:4]([O:5][CH3:6])[cH:7][c:8]2[c:9]([cH:10]1)[CH2:11][CH2:12][N:13]1[CH2:14][C@@H:15]([CH2:16][CH:17]([CH3:18])[CH3:19])[C:20](=[O:21])[CH2:22][C@H:23]21>CCO.ClCCl.B.[Na+]>[CH3:1][O:2][c:3]1[c:4]([O:5][CH3:6])[cH:7][c:8]2[c:9]([cH:10]1)[CH2:11][CH2:12][N:13]1[CH2:14][C@@H:15]([CH2:16][CH:17]([CH3:18])[CH3:19])[C@H:20]([OH:21])[CH2:22][C@H:23]21 MKJIEFSOBYUXJB-GDBMZVCRSA-N>>WEQLWGNDNRARGE-DJIMGWMZSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][c:2]1[c:3]2[c:8]([cH:9][cH:10][cH:11]1)[C:6](=[O:7])[CH2:5][CH2:4]2>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CO.CSC>[CH3:1][c:2]1[c:3]2[c:8]([cH:9][cH:10][cH:11]1)[C@H:6]([OH:7])[CH2:5][CH2:4]2 RUORWXQKVXTQJJ-UHFFFAOYSA-N>>JTUTZTVFJIHGGX-SNVBAGLBSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][C:2]1=[C:3]([c:4]2[n:5][cH:6][cH:7][cH:8][cH:9]2)[CH2:10][CH2:11][C:12]1=[O:13]>B.C1CCOC1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12>[CH3:1][C:2]1=[C:3]([c:4]2[n:5][cH:6][cH:7][cH:8][cH:9]2)[CH2:10][CH2:11][C@@H:12]1[OH:13] RRDVDMDPKIMITP-UHFFFAOYSA-N>>BTEYDTPYGSMSKH-NSHDSACASA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]=[C:5]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]=[C:5] 3d438d587d87521e60f8311dfb4f60605630598ea592a8172db481577c2b213e Br[CH2:3][CH:2]=[CH2:1].[CH2:4]([CH2:5][CH2:6][CH2:7][CH3:8])[C:9](=[O:10])[N:11]1[C:12](=[O:13])[O:14][C@@H:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[C@H:22]1[CH3:23]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[CH2:1]=[CH:2][CH2:3][C@H:4]([CH2:5][CH2:6][CH2:7][CH3:8])[C:9](=[O:10])[N:11]1[C:12](=[O:13])[O:14][C@@H:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[C@H:22]1[CH3:23] BHELZAPQIKSEDF-UHFFFAOYSA-N.QUUPAEKKDMXQMU-IUODEOHRSA-N>>KOAKLEBMAKZCHX-DJIMGWMZSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@@H;D3;+0:7](-[C:8])-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3]>>Br-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3].[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 33ab82ef5c99f3e34387d3b6e363f0a79dd4e6af47e65d8e6c0b4cf419209900 [CH3:1][C@:2]12[CH2:3][CH:4]=[C:5]3[C@@H:6]([CH2:7][CH2:8][C@@H:9]4[CH2:10][C:11](=[O:12])[CH2:13][CH2:14][C@:15]34[CH3:16])[C@@H:17]1[CH2:18][CH2:19][C:20]2=[O:21]>C1CCOC1.CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C.[HH].[Li+]>[CH3:1][C@:2]12[CH2:3][CH:4]=[C:5]3[C@@H:6]([CH2:7][CH2:8][C@@H:9]4[CH2:10][C@H:11]([OH:12])[CH2:13][CH2:14][C@:15]34[CH3:16])[C@@H:17]1[CH2:18][CH2:19][C:20]2=[O:21] BSNJKPLILMGFCJ-SHWDVBDTSA-N>>VFORKMIYKGJSEC-MBOQCRCKSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][C@@H:7]([CH3:8])[C@H:9]1[CH2:10][CH2:11][C@H:12]2[C@@H:13]3[CH2:14][CH2:15][C@@H:16]4[CH2:17][C@H:18]([O:19][C:20]([CH3:21])=[O:22])[CH2:23][CH2:24][C@:25]4([CH3:26])[C:27]3=[CH:28][C:29](=[O:30])[C@:31]12[CH3:32]>CCOC(C)=O.[Pd]>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][C@@H:7]([CH3:8])[C@H:9]1[CH2:10][CH2:11][C@H:12]2[C@@H:13]3[CH2:14][CH2:15][C@@H:16]4[CH2:17][C@H:18]([O:19][C:20]([CH3:21])=[O:22])[CH2:23][CH2:24][C@:25]4([CH3:26])[C@H:27]3[CH2:28][C:29](=[O:30])[C@:31]12[CH3:32] XRLBQELEYBVDHJ-QHWYEGTESA-N>>XHQVLSIVZIPGLE-KXKMLXBFSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[CH2;D2;+0:4]-[C:5]=[O;D1;H0:6]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[CH;D2;+0:4]-[C:5]=[O;D1;H0:6] 9182058add2a31e71953c59da91495e91a73b68dc14a14f3396d80a99aae5acd [CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][C@@H:7]([CH3:8])[C@H:9]1[CH2:10][CH2:11][C@H:12]2[C@@H:13]3[CH2:14][CH2:15][C@@H:16]4[CH2:17][C@H:18]([O:19][C:20]([CH3:21])=[O:22])[CH2:23][CH2:24][C@:25]4([CH3:26])[C@H:27]3[CH2:28][C:29](=[O:30])[C@:31]12[CH3:32]>C1CCOC1.CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C.[HH].[Li+]>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][C@@H:7]([CH3:8])[C@H:9]1[CH2:10][CH2:11][C@H:12]2[C@@H:13]3[CH2:14][CH2:15][C@@H:16]4[CH2:17][C@H:18]([O:19][C:20]([CH3:21])=[O:22])[CH2:23][CH2:24][C@:25]4([CH3:26])[C@H:27]3[CH2:28][C@H:29]([OH:30])[C@:31]12[CH3:32] XHQVLSIVZIPGLE-KXKMLXBFSA-N>>FVYCOKNQUSFTBH-RFTNVYQZSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 CS(=O)(=O)O[C@@H:4]1[CH2:5][CH2:6][O:7][C@@H:8]([CH:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22]1.[N-:1]=[N+:2]=[N-:3]>CCOCC.CN(C)C=O.[Na+]>[N-:1]=[N+:2]=[N:3][C@H:4]1[CH2:5][CH2:6][O:7][C@@H:8]([CH:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22]1 HQJGCIRPZACKTP-QZTJIDSGSA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>CXCJOBFPXRJGHS-DLBZAZTESA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 492c430f48d637aab0c971721cb4d8366eed9f75b9bf7a9ee5b238cfd7eb0d61 [CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH2:7][C:8](=[O:9])[c:10]2[cH:11][cH:12][n:13][cH:14][cH:15]2)[c:16]1[O:17][CH:18]([CH3:19])[CH3:20]>C1CCOC1.CCOCC.CO.C[C@H]1[C@H](B(Cl)[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C.Cl.FB(F)F>[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH2:7][C@H:8]([OH:9])[c:10]2[cH:11][cH:12][n:13][cH:14][cH:15]2)[c:16]1[O:17][CH:18]([CH3:19])[CH3:20] IJFAUIBWMSPSIV-UHFFFAOYSA-N>>XTCDOSHTXMEERU-INIZCTEOSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [O:1]=[C:2]1[C:3]([C:4]([F:5])([F:6])[F:7])=[C:8]2[c:9]3[c:10]([c:17]4[c:18]([cH:19][cH:20]3)[nH:21][n:22][cH:23]4)[CH2:11][C@@:12]23[CH2:13][CH2:14][C@@H:15]1[CH2:16]3>CCO.B.Cl.N.[Na+]>[OH:1][C@H:2]1[C:3]([C:4]([F:5])([F:6])[F:7])=[C:8]2[c:9]3[c:10]([c:17]4[c:18]([cH:19][cH:20]3)[nH:21][n:22][cH:23]4)[CH2:11][C@@:12]23[CH2:13][CH2:14][C@@H:15]1[CH2:16]3 XGIMMTBMHHWKPD-BCTVWOGZSA-N>>STDKRSCNIQODMJ-ZUGRMICFSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]=[C:5]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]=[C:5] 3d438d587d87521e60f8311dfb4f60605630598ea592a8172db481577c2b213e O=[CH:5][C@H:17]([OH:18])[C@@H:19]([OH:20])[C@@H:21]([C@@H:3]([CH2:2][OH:1])[OH:4])[OH:22].[NH:6]1[CH2:7][CH2:8][c:9]2[c:10]([Cl:11])[cH:12][c:13]([Cl:14])[cH:15][c:16]21>CCO.O>[OH:1][CH2:2][C@H:3]1[O:4][C@@H:5]([N:6]2[CH2:7][CH2:8][c:9]3[c:10]([Cl:11])[cH:12][c:13]([Cl:14])[cH:15][c:16]32)[C@H:17]([OH:18])[C@@H:19]([OH:20])[C@@H:21]1[OH:22] GZCGUPFRVQAUEE-SLPGGIOYSA-N.KXKGRTPNRAYWNZ-UHFFFAOYSA-N>>NYTRPMGSXPKMOU-RKQHYHRCSA-N 0.0 Unrecognized True substrate controlled False [N;H0;D3;+0:7]-[C@H;D3;+0:1]1-[C@H;D3;+0:2]-[C@@H;D3;+0:3]-[C@H;D3;+0:4]-[C@@H;D3;+0:5]-[O;H0;D2;+0:6]-1>>O=[CH;D2;+0:1]-[C@H;D3;+0:2]-[C@@H;D3;+0:3]-[C@@H;D3;+0:4]-[C@@H;D3;+0:5]-[OH;D1;+0:6].[NH;D2;+0:7] 55a5c480d3f67e2b0171931d66b7ad157d9b60399886c9768b3f7e589d7358b2 O=[CH:5][C@H:17]([OH:18])[C@@H:19]([OH:20])[C@@H:21]([C@@H:3]([CH2:2][OH:1])[OH:4])[OH:22].[NH:6]1[CH2:7][CH2:8][c:9]2[c:10]([Cl:11])[c:12]([F:13])[cH:14][cH:15][c:16]21>CCO.O>[OH:1][CH2:2][C@H:3]1[O:4][C@@H:5]([N:6]2[CH2:7][CH2:8][c:9]3[c:10]([Cl:11])[c:12]([F:13])[cH:14][cH:15][c:16]32)[C@H:17]([OH:18])[C@@H:19]([OH:20])[C@@H:21]1[OH:22] GZCGUPFRVQAUEE-SLPGGIOYSA-N.ZGDMHRLSOGHDSZ-UHFFFAOYSA-N>>AMNDDWNHRONWJT-RGCYKPLRSA-N 0.0 Unrecognized True substrate controlled False [N;H0;D3;+0:7]-[C@H;D3;+0:1]1-[C@H;D3;+0:2]-[C@@H;D3;+0:3]-[C@H;D3;+0:4]-[C@@H;D3;+0:5]-[O;H0;D2;+0:6]-1>>O=[CH;D2;+0:1]-[C@H;D3;+0:2]-[C@@H;D3;+0:3]-[C@@H;D3;+0:4]-[C@@H;D3;+0:5]-[OH;D1;+0:6].[NH;D2;+0:7] 55a5c480d3f67e2b0171931d66b7ad157d9b60399886c9768b3f7e589d7358b2 [CH3:10][N+:11](=[O:12])[O-:13].[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]=[C:9]1[CH2:14][C@@H:15]2[CH2:16][CH:17]=[CH:18][C@H:19]12>C1CCC2=NCCCN2CC1.Cl>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][C@:9]1([CH2:10][N+:11](=[O:12])[O-:13])[CH2:14][C@@H:15]2[CH2:16][CH:17]=[CH:18][C@H:19]12 LYGJENNIWJXYER-UHFFFAOYSA-N.TUFZVXHRJUWLHT-ONGXEEELSA-N>>DHHKPEUQJIEKOA-MJVIPROJSA-N 0.0 Unrecognized False substrate controlled False [#7;+:1]-[CH2;D2;+0:2]-[C@@;H0;D4;+0:4](-[C:3])(-[C:5]-[C:6]=[C:7])-[CH2;D2;+0:8]-[C:9](=[O;D1;H0:10])-[#8:11]-[C:12](-[C;D1;H3:13])(-[C;D1;H3:14])-[C;D1;H3:15]>>[#7;+:1]-[CH3;D1;+0:2].[C:3]-[C;H0;D3;+0:4](-[C:5]-[C:6]=[C:7])=[CH;D2;+0:8]-[C:9](=[O;D1;H0:10])-[#8:11]-[C:12](-[C;D1;H3:13])(-[C;D1;H3:14])-[C;D1;H3:15] 9dc7ff5b892d2e78a12cc25ca823aa9fa63d063ef4a7676a6bd8f932d03a3487 [CH3:17][N+:18](=[O:19])[O-:20].[CH3:1][C:2]1=[CH:3][C@H:4]2[C@@H:5]([CH2:6]1)[CH2:7][C:8]2=[CH:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16]>C1CCC2=NCCCN2CC1.O=P(O)(O)O.[K+]>[CH3:1][C:2]1=[CH:3][C@H:4]2[C@@H:5]([CH2:6]1)[CH2:7][C@:8]2([CH2:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:17][N+:18](=[O:19])[O-:20] IWYOPQQQQHFSNA-JQWIXIFHSA-N.LYGJENNIWJXYER-UHFFFAOYSA-N>>HTALJBRKVYWYKL-HUBLWGQQSA-N 0.0 Unrecognized False substrate controlled False [#7;+:1]-[CH2;D2;+0:2]-[C@@;H0;D4;+0:6](-[C:7])(-[C:5]-[C:4]=[C:3])-[CH2;D2;+0:8]-[C:9](=[O;D1;H0:10])-[#8:11]-[C:12](-[C;D1;H3:13])(-[C;D1;H3:14])-[C;D1;H3:15]>>[#7;+:1]-[CH3;D1;+0:2].[C:3]=[C:4]-[C:5]-[C;H0;D3;+0:6](-[C:7])=[CH;D2;+0:8]-[C:9](=[O;D1;H0:10])-[#8:11]-[C:12](-[C;D1;H3:13])(-[C;D1;H3:14])-[C;D1;H3:15] 1a4c6c6ba8e4afd70d65b94cb38b8229e314a1bf3de31c4bdf7583226216dd21 [CH3:19][N+:20](=[O:21])[O-:22].[CH3:1][CH2:2][CH2:3][C:4]1=[CH:5][C@H:6]2[C@@H:7]([CH2:8]1)[CH2:9][C:10]2=[CH:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18]>C1CCC2=NCCCN2CC1.O=P(O)(O)O.[K+]>[CH3:1][CH2:2][CH2:3][C:4]1=[CH:5][C@H:6]2[C@@H:7]([CH2:8]1)[CH2:9][C@:10]2([CH2:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:19][N+:20](=[O:21])[O-:22] LYGJENNIWJXYER-UHFFFAOYSA-N.VRWLBIDVBIONFN-JSGCOSHPSA-N>>BGOWANADSKJXIL-ZQIUZPCESA-N 0.0 Unrecognized False substrate controlled False [#7;+:1]-[CH2;D2;+0:2]-[C@@;H0;D4;+0:6](-[C:7])(-[C:5]-[C:4]=[C:3])-[CH2;D2;+0:8]-[C:9](=[O;D1;H0:10])-[#8:11]-[C:12](-[C;D1;H3:13])(-[C;D1;H3:14])-[C;D1;H3:15]>>[#7;+:1]-[CH3;D1;+0:2].[C:3]=[C:4]-[C:5]-[C;H0;D3;+0:6](-[C:7])=[CH;D2;+0:8]-[C:9](=[O;D1;H0:10])-[#8:11]-[C:12](-[C;D1;H3:13])(-[C;D1;H3:14])-[C;D1;H3:15] 1a4c6c6ba8e4afd70d65b94cb38b8229e314a1bf3de31c4bdf7583226216dd21 [CH3:1][CH2:2][CH:3]([CH3:4])[C:5]1=[CH:6][C@H:7]2[C@@H:8]([CH2:9]1)[CH2:10][C:11]2=[CH:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19].[CH3:20][N+:21](=[O:22])[O-:23]>C1CCC2=NCCCN2CC1.O=P(O)(O)O.[K+]>[CH3:1][CH2:2][CH:3]([CH3:4])[C:5]1=[CH:6][C@H:7]2[C@@H:8]([CH2:9]1)[CH2:10][C@:11]2([CH2:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:20][N+:21](=[O:22])[O-:23] LYGJENNIWJXYER-UHFFFAOYSA-N.ODFLKWRMKAWKLB-MONRWBKMSA-N>>ROJPLUBFZMPCHN-YPBBUHFGSA-N 0.0 Unrecognized False substrate controlled False [#7;+:1]-[CH2;D2;+0:2]-[C@@;H0;D4;+0:4](-[C:3])(-[C:5]-[C:6]=[C:7])-[CH2;D2;+0:8]-[C:9](=[O;D1;H0:10])-[#8:11]-[C:12](-[C;D1;H3:13])(-[C;D1;H3:14])-[C;D1;H3:15]>>[#7;+:1]-[CH3;D1;+0:2].[C:3]-[C;H0;D3;+0:4](-[C:5]-[C:6]=[C:7])=[CH;D2;+0:8]-[C:9](=[O;D1;H0:10])-[#8:11]-[C:12](-[C;D1;H3:13])(-[C;D1;H3:14])-[C;D1;H3:15] 9dc7ff5b892d2e78a12cc25ca823aa9fa63d063ef4a7676a6bd8f932d03a3487 [CH3:10][N+:11](=[O:12])[O-:13].[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]=[C:9]1[CH2:14][C@@H:15]2[CH2:16][C:17]([CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22]3)=[CH:23][C@H:24]12>C1CCC2=NCCCN2CC1.O=P(O)(O)O.[K+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][C@:9]1([CH2:10][N+:11](=[O:12])[O-:13])[CH2:14][C@@H:15]2[CH2:16][C:17]([CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22]3)=[CH:23][C@H:24]12 IWFFDBWNQJKBOH-HOCLYGCPSA-N.LYGJENNIWJXYER-UHFFFAOYSA-N>>YIMGZTOYVDFUGZ-BXWFABGCSA-N 0.0 Unrecognized False substrate controlled False [#7;+:1]-[CH2;D2;+0:2]-[C@@;H0;D4;+0:4](-[C:3])(-[C:5]-[C:6]=[C:7])-[CH2;D2;+0:8]-[C:9](=[O;D1;H0:10])-[#8:11]-[C:12](-[C;D1;H3:13])(-[C;D1;H3:14])-[C;D1;H3:15]>>[#7;+:1]-[CH3;D1;+0:2].[C:3]-[C;H0;D3;+0:4](-[C:5]-[C:6]=[C:7])=[CH;D2;+0:8]-[C:9](=[O;D1;H0:10])-[#8:11]-[C:12](-[C;D1;H3:13])(-[C;D1;H3:14])-[C;D1;H3:15] 9dc7ff5b892d2e78a12cc25ca823aa9fa63d063ef4a7676a6bd8f932d03a3487 [CH2:1]=[CH:2][CH2:3][C:4]1=[CH:5][C@H:6]2[C@@H:7]([CH2:8]1)[CH2:9][C:10]2=[CH:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18].[CH3:19][N+:20](=[O:21])[O-:22]>C1CCC2=NCCCN2CC1.O=P(O)(O)O.[K+]>[CH2:1]=[CH:2][CH2:3][C:4]1=[CH:5][C@H:6]2[C@@H:7]([CH2:8]1)[CH2:9][C@:10]2([CH2:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:19][N+:20](=[O:21])[O-:22] LYGJENNIWJXYER-UHFFFAOYSA-N.OUNIJIZQQPGHEX-JSGCOSHPSA-N>>HPEHOVSNCDKYDN-ZQIUZPCESA-N 0.0 Unrecognized False substrate controlled False [#7;+:1]-[CH2;D2;+0:2]-[C@@;H0;D4;+0:6](-[C:7])(-[C:5]-[C:4]=[C:3])-[CH2;D2;+0:8]-[C:9](=[O;D1;H0:10])-[#8:11]-[C:12](-[C;D1;H3:13])(-[C;D1;H3:14])-[C;D1;H3:15]>>[#7;+:1]-[CH3;D1;+0:2].[C:3]=[C:4]-[C:5]-[C;H0;D3;+0:6](-[C:7])=[CH;D2;+0:8]-[C:9](=[O;D1;H0:10])-[#8:11]-[C:12](-[C;D1;H3:13])(-[C;D1;H3:14])-[C;D1;H3:15] 1a4c6c6ba8e4afd70d65b94cb38b8229e314a1bf3de31c4bdf7583226216dd21 [CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH2:7][C:8](=[O:9])[c:10]2[cH:11][cH:12][n:13][cH:14][cH:15]2)[c:16]1[O:17][CH:18]([CH3:19])[CH3:20]>C1CCOC1.CCOCC.CO.C[C@H]1[C@H](B(Cl)[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C.Cl.FB(F)F>[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH2:7][C@H:8]([OH:9])[c:10]2[cH:11][cH:12][n:13][cH:14][cH:15]2)[c:16]1[O:17][CH:18]([CH3:19])[CH3:20] IJFAUIBWMSPSIV-UHFFFAOYSA-N>>XTCDOSHTXMEERU-INIZCTEOSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 O=C(O[OH:6])c1cccc(Cl)c1.[OH:1][CH2:2][C@@H:3]1[CH2:4][CH:5]=[CH:7][C@@H:8]1[OH:9]>ClCCl>[OH:1][CH2:2][C@@H:3]1[CH2:4][C@@H:5]2[O:6][C@@H:7]2[C@@H:8]1[OH:9] NHQDETIJWKXCTC-UHFFFAOYSA-N.WBEXVFLBMXJLAO-WDSKDSINSA-N>>KDHRDZLEOMAUPP-AZGQCCRYSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3]1-[O;H0;D2;+0:1]-[C@H;D3;+0:4]-1-[C:5]>>Cl-c1:c:c:c:c(-C(=O)-O-[OH;D1;+0:1]):c:1.[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5] c347e171e5b6b45a33e6b67f722aa99cc6e0f8560df6c504bf73b47d0d8c6558 Cl[C@H:13]([CH3:14])[c:15]1[n:16][cH:17][c:18]([Cl:19])[cH:20][cH:21]1.[CH3:1][CH:2]([CH3:3])[CH2:4][C@H:5]([CH2:6][OH:7])[NH:8][c:9]1[n:10][c:11]([SH:12])[n:22][c:23]2[c:24]1[s:25][c:26]([NH2:27])[n:28]2>>[CH3:1][CH:2]([CH3:3])[CH2:4][C@H:5]([CH2:6][OH:7])[NH:8][c:9]1[n:10][c:11]([S:12][C@@H:13]([CH3:14])[c:15]2[n:16][cH:17][c:18]([Cl:19])[cH:20][cH:21]2)[n:22][c:23]2[c:24]1[s:25][c:26]([NH2:27])[n:28]2 OGRDDYIZJRCWSP-ZCFIWIBFSA-N.SRFMELCSECVOJF-RXMQYKEDSA-N>>ROMRVRZMWCLQKF-CMPLNLGQSA-N 0.0 Unrecognized False stereospecific False [#7;a:5]:[c:6](:[#7;a:7])-[S;H0;D2;+0:8]-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3]:[#7;a:4]>>Cl-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3]:[#7;a:4].[#7;a:5]:[c:6](:[#7;a:7])-[SH;D1;+0:8] 815beeef87283f359769d57fe69bfc26e81210042d1b8d02ecc0abb24373ffcb Cl[C@H:13]([CH3:14])[c:15]1[n:16][cH:17][c:18]([F:19])[cH:20][cH:21]1.[CH3:1][CH:2]([CH3:3])[CH2:4][C@H:5]([CH2:6][OH:7])[NH:8][c:9]1[n:10][c:11]([SH:12])[n:22][c:23]2[c:24]1[s:25][c:26]([NH2:27])[n:28]2>>[CH3:1][CH:2]([CH3:3])[CH2:4][C@H:5]([CH2:6][OH:7])[NH:8][c:9]1[n:10][c:11]([S:12][C@@H:13]([CH3:14])[c:15]2[n:16][cH:17][c:18]([F:19])[cH:20][cH:21]2)[n:22][c:23]2[c:24]1[s:25][c:26]([NH2:27])[n:28]2 OGRDDYIZJRCWSP-ZCFIWIBFSA-N.YEOOBRJQYAUNJT-RXMQYKEDSA-N>>NLYAYHBBJYSASQ-CMPLNLGQSA-N 0.0 Unrecognized False stereospecific False [#7;a:5]:[c:6](:[#7;a:7])-[S;H0;D2;+0:8]-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3]:[#7;a:4]>>Cl-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3]:[#7;a:4].[#7;a:5]:[c:6](:[#7;a:7])-[SH;D1;+0:8] 815beeef87283f359769d57fe69bfc26e81210042d1b8d02ecc0abb24373ffcb Cl[C@H:13]([CH3:14])[c:15]1[n:16][cH:17][cH:18][cH:19][c:20]1[F:21].[CH3:1][CH:2]([CH3:3])[CH2:4][C@H:5]([CH2:6][OH:7])[NH:8][c:9]1[n:10][c:11]([SH:12])[n:22][c:23]2[c:24]1[s:25][c:26]([NH2:27])[n:28]2>>[CH3:1][CH:2]([CH3:3])[CH2:4][C@H:5]([CH2:6][OH:7])[NH:8][c:9]1[n:10][c:11]([S:12][C@@H:13]([CH3:14])[c:15]2[n:16][cH:17][cH:18][cH:19][c:20]2[F:21])[n:22][c:23]2[c:24]1[s:25][c:26]([NH2:27])[n:28]2 OGRDDYIZJRCWSP-ZCFIWIBFSA-N.OKURWHVAGIHTEB-RXMQYKEDSA-N>>UFEVJBBMRPWIKD-WDEREUQCSA-N 0.0 Unrecognized False stereospecific False [#7;a:5]:[c:6](:[#7;a:7])-[S;H0;D2;+0:8]-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3]:[#7;a:4]>>Cl-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3]:[#7;a:4].[#7;a:5]:[c:6](:[#7;a:7])-[SH;D1;+0:8] 815beeef87283f359769d57fe69bfc26e81210042d1b8d02ecc0abb24373ffcb [CH3:1][C:2](=[O:3])[c:4]1[n:5][cH:6][cH:7][c:8]([C:9]#[N:10])[cH:11]1>C[C@H]1[C@@H]2C[C@H](C[C@H]1B(Cl)[C@@H]1C[C@H]3C[C@@H]([C@@H]1C)C3(C)C)C2(C)C>[CH3:1][C@H:2]([OH:3])[c:4]1[n:5][cH:6][cH:7][c:8]([C:9]#[N:10])[cH:11]1 WISLYNBDMYWHNF-UHFFFAOYSA-N>>SWIPZFANOCNCDM-LURJTMIESA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]-[C@H;D3;+0:3](-[C;D1;H3:4])-[OH;D1;+0:5]>>[#7;a:1]:[c:2]-[C;H0;D3;+0:3](-[C;D1;H3:4])=[O;H0;D1;+0:5] 439910f0ec84fc11a36d00d5e6a4edbc841ea487b63c909aa068c82b3ec914b0 O[C@@H:12]1[CH2:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]21.[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([OH:11])[cH:21][cH:22]1>C1CCOC1.CCCCP(CCCC)CCCC.O.O=C(N=NC(=O)N1CCCCC1)N1CCCCC1>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([O:11][C@H:12]2[CH2:13][CH2:14][c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]32)[cH:21][cH:22]1 XRAMJHXWXCMGJM-UHFFFAOYSA-N.YIAPLDFPUUJILH-SECBINFHSA-N>>KFEHFZKJDWMWPI-SFHVURJKSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] b51aa84223ac8987c903416d7d295e7a36e10e901104df238d8ffd71135ac882 O[C@@:6]1([c:7]2[cH:8][cH:9][c:10](-[c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[cH:17][cH:18]2)[CH2:19][C@@H:20]([C:21](=[O:22])[O:23][CH3:24])[N:25]([C:26](=[O:27])[O:28][CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH2:36]1.[CH3:1][CH2:2][CH2:3][CH2:4][SH:5]>CC#N.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Sc+3]>[CH3:1][CH2:2][CH2:3][CH2:4][S:5][C@:6]1([c:7]2[cH:8][cH:9][c:10](-[c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[cH:17][cH:18]2)[CH2:19][C@@H:20]([C:21](=[O:22])[O:23][CH3:24])[N:25]([C:26](=[O:27])[O:28][CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH2:36]1 KLZXKTJLVVAODS-OZXSUGGESA-N.WQAQPCDUOCURKW-UHFFFAOYSA-N>>QBNCNFKIHBONNQ-BHBYDHKZSA-N 0.0 Unrecognized False stereospecific False [#7:5]-[C:4]-[C@;H0;D4;+0:1](-[C:2])(-[c:3])-[S;H0;D2;+0:7]-[C:6]>>O-[C@;H0;D4;+0:1](-[C:2])(-[c:3])-[C:4]-[#7:5].[C:6]-[SH;D1;+0:7] f0170a907e3559a3e401fd0d14e64b3ff2ecb023d2363231d79e57912a84f751 O[C@@:7]1([c:14]2[cH:15][cH:16][c:17](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[cH:24][cH:25]2)[CH2:6][C@@H:5]([C:3]([O:2][CH3:1])=[O:4])[N:27]([C:28](=[O:29])[O:30][CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[CH2:26]1.[SH:8][CH2:9][Si:10]([CH3:11])([CH3:12])[CH3:13]>CC#N.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Sc+3]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]1[CH2:6][C@:7]([S:8][CH2:9][Si:10]([CH3:11])([CH3:12])[CH3:13])([c:14]2[cH:15][cH:16][c:17](-[c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[cH:24][cH:25]2)[CH2:26][N:27]1[C:28](=[O:29])[O:30][CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1 IIYTXTQVIDHSSL-UHFFFAOYSA-N.KLZXKTJLVVAODS-OZXSUGGESA-N>>VZLCKWZGYMSWET-BHBYDHKZSA-N 0.0 Unrecognized False stereospecific False [#7:5]-[C:4]-[C@;H0;D4;+0:1](-[C:2])(-[c:3])-[S;H0;D2;+0:7]-[C:6]>>O-[C@;H0;D4;+0:1](-[C:2])(-[c:3])-[C:4]-[#7:5].[C:6]-[SH;D1;+0:7] f0170a907e3559a3e401fd0d14e64b3ff2ecb023d2363231d79e57912a84f751 O[C@@:7]1([c:12]2[cH:13][cH:14][c:15](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[cH:22][cH:23]2)[CH2:6][C@@H:5]([C:3]([O:2][CH3:1])=[O:4])[N:25]([C:26](=[O:27])[O:28][CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH2:24]1.[SH:8][CH:9]([CH3:10])[CH3:11]>CC#N.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Sc+3]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]1[CH2:6][C@:7]([S:8][CH:9]([CH3:10])[CH3:11])([c:12]2[cH:13][cH:14][c:15](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[cH:22][cH:23]2)[CH2:24][N:25]1[C:26](=[O:27])[O:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1 KJRCEJOSASVSRA-UHFFFAOYSA-N.KLZXKTJLVVAODS-OZXSUGGESA-N>>LJYUQYXGPBLKOP-LITSAYRRSA-N 0.0 Unrecognized False stereospecific False [#7:5]-[C:4]-[C@;H0;D4;+0:1](-[C:2])(-[c:3])-[S;H0;D2;+0:7]-[C:6]>>O-[C@;H0;D4;+0:1](-[C:2])(-[c:3])-[C:4]-[#7:5].[C:6]-[SH;D1;+0:7] f0170a907e3559a3e401fd0d14e64b3ff2ecb023d2363231d79e57912a84f751 [O:1]=[C:2]1[CH2:3][CH2:4][O:5][c:6]2[c:7]([Br:8])[cH:9][c:10]([Br:11])[cH:12][c:13]21>CC#N.CCN(CC)CC.CCOC(C)=O.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1.Cl[Ru]Cl.Cl[Ru]Cl.O=CO>[OH:1][C@H:2]1[CH2:3][CH2:4][O:5][c:6]2[c:7]([Br:8])[cH:9][c:10]([Br:11])[cH:12][c:13]21 NPVIVRRXGMSKTH-UHFFFAOYSA-N>>QVOVSNZFAAHEPC-QMMMGPOBSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c O=P(c1ccccc1)(c1ccccc1)[N:3]=[N+:2]=[N-:1].O[C@H:4]1[CH2:5][CH2:6][O:7][c:8]2[c:9]([Br:10])[cH:11][c:12]([Br:13])[cH:14][c:15]21>C1CCC2=NCCCN2CC1.C1CCOC1.CCOC(C)=O>[N-:1]=[N+:2]=[N:3][C@@H:4]1[CH2:5][CH2:6][O:7][c:8]2[c:9]([Br:10])[cH:11][c:12]([Br:13])[cH:14][c:15]21 MKRTXPORKIRPDG-UHFFFAOYSA-N.QVOVSNZFAAHEPC-QMMMGPOBSA-N>>IRUFJYAUSFXSAZ-MRVPVSSYSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].O=P(-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6])(-c1:c:c:c:c:c:1)-c1:c:c:c:c:c:1 ab6024695fd701762ae9e20213f5206f982841807bb21b41ca56b06d668bb63c [C@H:11]1([CH3:12])[C@:13]([CH2:15][n:16]2[cH:17][n:18][cH:19][n:20]2)([c:21]2[c:22]([F:23])[cH:24][c:25]([F:26])[cH:27][cH:28]2)[O:14]1.[CH3:1][c:2]1[c:3]([CH3:4])[n:5][c:6]([C:7]2=[CH:8][CH2:9][NH:10][CH2:29][CH2:30]2)[cH:31][cH:32]1>CC#N.O.O.O.[Li+].[O-][Cl+3]([O-])([O-])O>[CH3:1][c:2]1[c:3]([CH3:4])[n:5][c:6]([C:7]2=[CH:8][CH2:9][N:10]([C@H:11]([CH3:12])[C@:13]([OH:14])([CH2:15][n:16]3[cH:17][n:18][cH:19][n:20]3)[c:21]3[c:22]([F:23])[cH:24][c:25]([F:26])[cH:27][cH:28]3)[CH2:29][CH2:30]2)[cH:31][cH:32]1 QANJLSHZDUOBBP-QPUJVOFHSA-N.VSZWLJHVFXYCDW-UHFFFAOYSA-N>>IKAWCKKNKKKCOJ-HOYKHHGWSA-N 0.0 Unrecognized False stereospecific False [C:1]-[C@@;H0;D4;+0:2](-[OH;D1;+0:9])(-[C@@H;D3;+0:10](-[C;D1;H3:11])-[N;H0;D3;+0:13](-[C:12])-[C:14]-[C:15]=[C:16])-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1>>[C:1]-[C@@;H0;D4;+0:2]1(-[c:3]2:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:2)-[O;H0;D2;+0:9]-[C@H;D3;+0:10]-1-[C;D1;H3:11].[C:12]-[NH;D2;+0:13]-[C:14]-[C:15]=[C:16] e5b4994a19d862708cea27b08d195874b5e6f4724751888d618a06fb4b981020 [C@H:10]1([CH3:11])[C@:12]([CH2:14][n:15]2[cH:16][n:17][cH:18][n:19]2)([c:20]2[c:21]([F:22])[cH:23][c:24]([F:25])[cH:26][cH:27]2)[O:13]1.[CH3:1][c:2]1[cH:3][n:4][c:5]([C:6]2=[CH:7][CH2:8][NH:9][CH2:28][CH2:29]2)[cH:30][cH:31]1>CC#N.O.O.O.[Li+].[O-][Cl+3]([O-])([O-])O>[CH3:1][c:2]1[cH:3][n:4][c:5]([C:6]2=[CH:7][CH2:8][N:9]([C@H:10]([CH3:11])[C@:12]([OH:13])([CH2:14][n:15]3[cH:16][n:17][cH:18][n:19]3)[c:20]3[c:21]([F:22])[cH:23][c:24]([F:25])[cH:26][cH:27]3)[CH2:28][CH2:29]2)[cH:30][cH:31]1 QANJLSHZDUOBBP-QPUJVOFHSA-N.VUGLPSSKCDYNAH-UHFFFAOYSA-N>>ZMHATOHCNMYXAK-UZUQRXQVSA-N 0.0 Unrecognized False stereospecific False [C:1]-[C@@;H0;D4;+0:2](-[OH;D1;+0:9])(-[C@@H;D3;+0:10](-[C;D1;H3:11])-[N;H0;D3;+0:13](-[C:12])-[C:14]-[C:15]=[C:16])-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1>>[C:1]-[C@@;H0;D4;+0:2]1(-[c:3]2:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:2)-[O;H0;D2;+0:9]-[C@H;D3;+0:10]-1-[C;D1;H3:11].[C:12]-[NH;D2;+0:13]-[C:14]-[C:15]=[C:16] e5b4994a19d862708cea27b08d195874b5e6f4724751888d618a06fb4b981020 [C@H:12]1([CH3:13])[C@:14]([CH2:16][n:17]2[cH:18][n:19][cH:20][n:21]2)([c:22]2[c:23]([F:24])[cH:25][c:26]([F:27])[cH:28][cH:29]2)[O:15]1.[CH3:1][c:2]1[c:3]([CH3:4])[n:5][c:6]([C:7]2=[CH:8][CH2:9][CH2:10][NH:11][CH2:30]2)[cH:31][cH:32]1>CC#N.O.O.O.[Li+].[O-][Cl+3]([O-])([O-])O>[CH3:1][c:2]1[c:3]([CH3:4])[n:5][c:6]([C:7]2=[CH:8][CH2:9][CH2:10][N:11]([C@H:12]([CH3:13])[C@:14]([OH:15])([CH2:16][n:17]3[cH:18][n:19][cH:20][n:21]3)[c:22]3[c:23]([F:24])[cH:25][c:26]([F:27])[cH:28][cH:29]3)[CH2:30]2)[cH:31][cH:32]1 QANJLSHZDUOBBP-QPUJVOFHSA-N.ZMWZOLNLWIPCEW-UHFFFAOYSA-N>>ONXNHKIBRBCIEX-HOYKHHGWSA-N 0.0 Unrecognized False stereospecific False [C:12]-[N;H0;D3;+0:13](-[C:14]-[C:15]=[C:16])-[C@H;D3;+0:10](-[C;D1;H3:11])-[C@@;H0;D4;+0:2](-[C:1])(-[OH;D1;+0:9])-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1>>[C:1]-[C@@;H0;D4;+0:2]1(-[c:3]2:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:2)-[O;H0;D2;+0:9]-[C@H;D3;+0:10]-1-[C;D1;H3:11].[C:12]-[NH;D2;+0:13]-[C:14]-[C:15]=[C:16] e5b4994a19d862708cea27b08d195874b5e6f4724751888d618a06fb4b981020 Br[CH2:5][c:6]1[c:7]([CH3:8])[cH:9][c:10]([O:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:19][c:20]1[CH3:21].[CH2:1]=[CH:2][CH2:3][CH2:4][C:22](=[O:23])[N:24]1[C:25](=[O:26])[O:27][CH2:28][C@H:29]1[CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH2:1]=[CH:2][CH2:3][C@@H:4]([CH2:5][c:6]1[c:7]([CH3:8])[cH:9][c:10]([O:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:19][c:20]1[CH3:21])[C:22](=[O:23])[N:24]1[C:25](=[O:26])[O:27][CH2:28][C@H:29]1[CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1 DZHIUWLZQNQNKD-UHFFFAOYSA-N.VKEZZGBUHSYSJM-CYBMUJFWSA-N>>ZHAGBPYXUIYRRA-RRPNLBNLSA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[C:7]-[C:8]=[C;D1;H2:9])-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]-[C:4](=[O;D1;H0:5])-[CH2;D2;+0:6]-[C:7]-[C:8]=[C;D1;H2:9] 02edf67ac50d98e145a68d5f9b92bf19c82828cbef69fc2cc6d19aed9ff9d2f8 Br[CH2:9][c:10]1[c:11]([Cl:12])[cH:13][c:14](-[c:15]2[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]2)[cH:22][c:23]1[Cl:24].[O:1]=[C:2]1[O:3][C@H:4]([CH2:5][OH:6])[CH2:7][CH2:8]1>C1CCOC1.CCN(C)C.CCOC(C)=O.C[Si](C)(C)Cl.C[Si](C)(C)N[Si](C)(C)C.O.O=P(O)(O)O.[Li+]>[O:1]=[C:2]1[O:3][C@H:4]([CH2:5][OH:6])[CH2:7][C@H:8]1[CH2:9][c:10]1[c:11]([Cl:12])[cH:13][c:14](-[c:15]2[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]2)[cH:22][c:23]1[Cl:24] NSISJFFVIMQBRN-BYPYZUCNSA-N.ZIOZRXDIMAJBRX-UHFFFAOYSA-N>>LHQMKZKYYBUIAS-JSGCOSHPSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>Br-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 c34de8b187abb041b2c73bdd7e1f00481957a40f634fe1f6b248ef3c8ecce090 Br[CH2:5][c:6]1[c:7]([Cl:8])[cH:9][c:10](-[c:11]2[cH:12][cH:13][c:14]([F:15])[cH:16][cH:17]2)[cH:18][c:19]1[Cl:20].[CH2:1]=[CH:2][CH2:3][CH2:4][C:21](=[O:22])[N:23]1[C:24](=[O:25])[O:26][CH2:27][C@H:28]1[CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH2:1]=[CH:2][CH2:3][C@@H:4]([CH2:5][c:6]1[c:7]([Cl:8])[cH:9][c:10](-[c:11]2[cH:12][cH:13][c:14]([F:15])[cH:16][cH:17]2)[cH:18][c:19]1[Cl:20])[C:21](=[O:22])[N:23]1[C:24](=[O:25])[O:26][CH2:27][C@H:28]1[CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1 VKEZZGBUHSYSJM-CYBMUJFWSA-N.ZIOZRXDIMAJBRX-UHFFFAOYSA-N>>BUXIQODHVCFNJU-NZQKXSOJSA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[C:7]-[C:8]=[C;D1;H2:9])-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]-[C:4](=[O;D1;H0:5])-[CH2;D2;+0:6]-[C:7]-[C:8]=[C;D1;H2:9] 02edf67ac50d98e145a68d5f9b92bf19c82828cbef69fc2cc6d19aed9ff9d2f8 [OH:1][c:2]1[c:3]2[c:15]3[c:14]([cH:25][cH:26]1)[CH2:13][C@@H:12]1[C@:10]4([OH:11])[CH2:9][CH2:8][C:6](=[O:7])[C@H:5]([O:4]2)[C@@:16]43[CH2:17][CH2:18][N:19]1[CH2:20][CH:21]1[CH2:22][CH2:23][CH2:24]1>CC#N.CCN(CC)CC.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cl[Ru]Cl.Cl[Ru]Cl.O=CO>[OH:1][c:2]1[c:3]2[c:15]3[c:14]([cH:25][cH:26]1)[CH2:13][C@@H:12]1[C@:10]4([OH:11])[CH2:9][CH2:8][C@H:6]([OH:7])[C@H:5]([O:4]2)[C@@:16]43[CH2:17][CH2:18][N:19]1[CH2:20][CH:21]1[CH2:22][CH2:23][CH2:24]1 VANAVLBJMFLURS-MBPVOVBZSA-N>>NETZHAKZCGBWSS-CEDHKZHLSA-N 0.0 Unrecognized False substrate controlled False [#8:1]-[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#8:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] acd65360c41d94aad84f54104b4be3e8d3b157bdb1eb571ebb7df7c4147c5c5e [CH3:1][C:2](=[O:3])[c:4]1[n:5][cH:6][cH:7][c:8]([C:9]#[N:10])[cH:11]1>C[C@H]1[C@@H]2C[C@H](C[C@H]1B(Cl)[C@@H]1C[C@H]3C[C@@H]([C@@H]1C)C3(C)C)C2(C)C>[CH3:1][C@H:2]([OH:3])[c:4]1[n:5][cH:6][cH:7][c:8]([C:9]#[N:10])[cH:11]1 WISLYNBDMYWHNF-UHFFFAOYSA-N>>SWIPZFANOCNCDM-LURJTMIESA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]-[C@@H;D3;+0:3](-[C;D1;H3:4])-[OH;D1;+0:5]>>[#7;a:1]:[c:2]-[C;H0;D3;+0:3](-[C;D1;H3:4])=[O;H0;D1;+0:5] 4672cc10e7f17fd78b474dab59cad4434e7eecbb4579adc8c4c1468d077e6b1e [O:1]=[C:2]1[CH2:3][CH2:4][O:5][c:6]2[c:7]([Br:8])[cH:9][c:10]([Br:11])[cH:12][c:13]21>CC#N.CCN(CC)CC.CCOC(C)=O.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1.Cl[Ru]Cl.Cl[Ru]Cl.O=CO>[OH:1][C@H:2]1[CH2:3][CH2:4][O:5][c:6]2[c:7]([Br:8])[cH:9][c:10]([Br:11])[cH:12][c:13]21 NPVIVRRXGMSKTH-UHFFFAOYSA-N>>QVOVSNZFAAHEPC-QMMMGPOBSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [O:1]=[C:2]([O:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[N:11]1[CH2:12][CH2:13][C:14](=[O:15])[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]21>CC(C)O.Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1.Cl.[K+].O>[O:1]=[C:2]([O:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[N:11]1[CH2:12][CH2:13][C@H:14]([OH:15])[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]21 ARPDGNMOSXCMJJ-UHFFFAOYSA-N>>CXJTYVYLVCQRMA-INIZCTEOSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][N:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][O:12][Si:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[CH3:19])[C@H:20]1[C@H:21]2[CH2:22][CH2:23][C@@H:24]1[C:25](=[O:26])[CH2:27]2>C1CCOC1.CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C.[HH].[Li+]>[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][O:12][Si:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[CH3:19])[C@H:20]1[C@H:21]2[CH2:22][CH2:23][C@@H:24]1[C@H:25]([OH:26])[CH2:27]2 CZJSEGHDBGLDMY-VWPQPMDRSA-N>>PIXDHEMLSCWGKE-CBPXPLCBSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [O:1]=[C:2]([CH2:3][Cl:4])[c:5]1[cH:6][cH:7][c:8]([F:9])[cH:10][cH:11]1>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CO.Cc1ccccc1.Cl.ClCCl>[OH:1][C@H:2]([CH2:3][Cl:4])[c:5]1[cH:6][cH:7][c:8]([F:9])[cH:10][cH:11]1 UJZWJOQRSMOFMA-UHFFFAOYSA-N>>VTCREIYEGAGUDS-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][O:2][c:3]1[c:4]2[c:10]([cH:11][cH:12][cH:13]1)[CH2:9][CH2:8][C:6](=[O:7])[CH2:5]2>CC(C)O.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)cc1.Cl[Ru]Cl.Cl[Ru]Cl.[K+].O.c1ccccc1.c1ccccc1>[CH3:1][O:2][c:3]1[c:4]2[c:10]([cH:11][cH:12][cH:13]1)[CH2:9][CH2:8][C@@H:6]([OH:7])[CH2:5]2 BTYBORAHYUCUMH-UHFFFAOYSA-N>>QUZJUIUDXOFCHD-SECBINFHSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [O:1]=[C:2]1[CH2:3][c:4]2[cH:5][cH:6][cH:7][c:8]3[cH:9][cH:10][cH:11][c:12]1[c:13]23>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CO.Cl.ClCCl>[OH:1][C@H:2]1[CH2:3][c:4]2[cH:5][cH:6][cH:7][c:8]3[cH:9][cH:10][cH:11][c:12]1[c:13]23 JBXIOAKUBCTDES-UHFFFAOYSA-N>>MXUCIEHYJYRTLT-NSHDSACASA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c CC(C)(C)OC(=O)[NH:17][C@@H:6]([C:4]([O:3][CH2:2][CH3:1])=[O:5])[CH2:7][CH2:8][C:9](=O)[c:10]1[cH:11][cH:12][c:13]([F:14])[cH:15][cH:16]1>CCOC(C)=O.Cl>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]1[CH2:7][CH2:8][C@@H:9]([c:10]2[cH:11][cH:12][c:13]([F:14])[cH:15][cH:16]2)[NH:17]1 QVWZSRUAQDLOIL-CQSZACIVSA-N>>LWOOFZWQLXTMLV-NWDGAFQWSA-N 0.0 Unrecognized True substrate controlled False [C@@H;D3;+0:2]1-[CH2;D2;+0:3]-[CH2;D2;+0:4]-[C@@H;D3;+0:5]-[NH;D2;+0:1]-1>>C-C(-C)(-C)-O-C(=O)-[NH;D2;+0:1]-[C@@H;D3;+0:2]-[CH2;D2;+0:3]-[CH2;D2;+0:4]-[C;H0;D3;+0:5]=O dbf58f4f914c0028d39f46940fdb28359262d33a6e40bc1e63ccd6536fdc66bd CC(C)(C)OC(=O)[NH:17][C@@H:6]([C:4]([O:3][CH2:2][CH3:1])=[O:5])[CH2:7][CH2:8][C:9](=O)[c:10]1[cH:11][cH:12][c:13]([Cl:14])[cH:15][cH:16]1>CCOC(C)=O.Cl>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]1[CH2:7][CH2:8][C@@H:9]([c:10]2[cH:11][cH:12][c:13]([Cl:14])[cH:15][cH:16]2)[NH:17]1 ZLCUPEFADNZYLE-CQSZACIVSA-N>>FJKCAMGQTMNZMA-NWDGAFQWSA-N 0.0 Unrecognized True substrate controlled False [C@@H;D3;+0:2]1-[CH2;D2;+0:3]-[CH2;D2;+0:4]-[C@@H;D3;+0:5]-[NH;D2;+0:1]-1>>C-C(-C)(-C)-O-C(=O)-[NH;D2;+0:1]-[C@@H;D3;+0:2]-[CH2;D2;+0:3]-[CH2;D2;+0:4]-[C;H0;D3;+0:5]=O dbf58f4f914c0028d39f46940fdb28359262d33a6e40bc1e63ccd6536fdc66bd [O:1]=[C:2]([CH2:3][Cl:4])[c:5]1[cH:6][c:7]([Cl:8])[cH:9][cH:10][cH:11]1>Cc1ccccc1.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na+].O>[OH:1][C@@H:2]([CH2:3][Cl:4])[c:5]1[cH:6][c:7]([Cl:8])[cH:9][cH:10][cH:11]1 AVUVSYIYUADCKE-UHFFFAOYSA-N>>LBSKQOSGSUKVDG-QMMMGPOBSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][O:2][C:3](=[O:4])[CH2:5][C:6](=[O:7])[C@@H:8]([CH2:9][c:10]1[cH:11][c:12]([Cl:13])[c:14]([Cl:15])[cH:16][cH:17]1)[N:18]([CH3:19])[C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26]>CO.COC(C)(C)C.O.B.[Na+]>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]([OH:7])[C@@H:8]([CH2:9][c:10]1[cH:11][c:12]([Cl:13])[c:14]([Cl:15])[cH:16][cH:17]1)[N:18]([CH3:19])[C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26] DEDDLMHRYMAPEF-CQSZACIVSA-N>>HPLJNKHMPZUEHC-HUUCEWRRSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8] 923f08f73bcf231a4469a783b476454dfc996b66619f88800e0679ca088598ce [CH3:1][C:2](=[O:3])[C@H:4]1[CH2:5][N:6]([CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][C@@H:15]1[c:16]1[cH:17][c:18]([Cl:19])[c:20]([F:21])[cH:22][cH:23]1>C1CCOC1.[Al+3].[HH].[HH].[HH].[HH].[Li+]>[CH3:1][C@@H:2]([OH:3])[C@H:4]1[CH2:5][N:6]([CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][C@@H:15]1[c:16]1[cH:17][c:18]([Cl:19])[c:20]([F:21])[cH:22][cH:23]1 YMQWUBIZOKTUCA-IAGOWNOFSA-N>>BJORMUBRBUVNFT-KBRIMQKVSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C;D1;H3:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C:2](=[O:3])[C@H:4]1[CH2:5][N:6]([CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][C@@H:15]1[c:16]1[cH:17][c:18]([F:19])[c:20]([F:21])[cH:22][cH:23]1>C1CCOC1.[Al+3].[HH].[HH].[HH].[HH].[Li+]>[CH3:1][C@@H:2]([OH:3])[C@H:4]1[CH2:5][N:6]([CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][C@@H:15]1[c:16]1[cH:17][c:18]([F:19])[c:20]([F:21])[cH:22][cH:23]1 ABCDYKFFJUFEGD-IAGOWNOFSA-N>>GRVXNDGLBGZXHK-KBRIMQKVSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C;D1;H3:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C:2](=[O:3])[C@H:4]1[CH2:5][N:6]([CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][C@@H:15]1[c:16]1[cH:17][c:18]([F:19])[c:20]([Cl:21])[cH:22][cH:23]1>C1CCOC1.[Al+3].[HH].[HH].[HH].[HH].[Li+]>[CH3:1][C@@H:2]([OH:3])[C@H:4]1[CH2:5][N:6]([CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][C@@H:15]1[c:16]1[cH:17][c:18]([F:19])[c:20]([Cl:21])[cH:22][cH:23]1 XPPUVAAOMMDDAO-IAGOWNOFSA-N>>JIWPVBGCDKPLRC-KBRIMQKVSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C;D1;H3:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][O:2][c:3]1[c:4]2[c:10]([cH:11][cH:12][cH:13]1)[CH2:9][CH2:8][C:6](=[O:7])[CH2:5]2>CC(C)O.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)cc1.Cl[Ru]Cl.Cl[Ru]Cl.[K+].O.c1ccccc1.c1ccccc1>[CH3:1][O:2][c:3]1[c:4]2[c:10]([cH:11][cH:12][cH:13]1)[CH2:9][CH2:8][C@@H:6]([OH:7])[CH2:5]2 BTYBORAHYUCUMH-UHFFFAOYSA-N>>QUZJUIUDXOFCHD-SECBINFHSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C:2](=[O:3])[C@H:4]1[CH2:5][N:6]([CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][C@@H:15]1[c:16]1[cH:17][cH:18][c:19]([Cl:20])[cH:21][cH:22]1>C1CCOC1.[Al+3].[HH].[HH].[HH].[HH].[Li+]>[CH3:1][C@@H:2]([OH:3])[C@H:4]1[CH2:5][N:6]([CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][C@@H:15]1[c:16]1[cH:17][cH:18][c:19]([Cl:20])[cH:21][cH:22]1 BEESYZLTXOBJPJ-RTBURBONSA-N>>KJEXACBDONHSHB-NIKGAXFTSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C;D1;H3:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C:2](=[O:3])[C@H:4]1[CH2:5][N:6]([CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][C@@H:15]1[c:16]1[cH:17][cH:18][c:19]([F:20])[cH:21][cH:22]1>C1CCOC1.[Al+3].[HH].[HH].[HH].[HH].[Li+]>[CH3:1][C@@H:2]([OH:3])[C@H:4]1[CH2:5][N:6]([CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][C@@H:15]1[c:16]1[cH:17][cH:18][c:19]([F:20])[cH:21][cH:22]1 WWAZCBSREPTKGB-RTBURBONSA-N>>AICDORFYMOHSSB-NIKGAXFTSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C;D1;H3:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d Br[Mg][CH2:2][CH3:1].[C:3]1(=[O:4])[CH2:5][CH2:6][N:7]([C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[C@H:18]1[CH3:19]>CCOCC.[Ce+3].Cl.Cl.Cl>[CH3:1][CH2:2][C@:3]1([OH:4])[CH2:5][CH2:6][N:7]([C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[C@H:18]1[CH3:19] SXRCSLUPXCTDRP-JTQLQIEISA-N.TWTWFMUQSOFTRN-UHFFFAOYSA-M>>VQLXIGQQDCMJKJ-WFASDCNBSA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4]-[C@;H0;D4;+0:5](-[C:6])(-[OH;D1;+0:7])-[CH2;D2;+0:1]-[C;D1;H3:2]>>Br-[Mg]-[CH2;D2;+0:1]-[C;D1;H3:2].[#7:3]-[C:4]-[C;H0;D3;+0:5](-[C:6])=[O;H0;D1;+0:7] 7a93be1ec220ead628239eb6b1dc8c3801cf03a35d865e7aee71ef06f909370d Br[Mg][CH2:3][CH2:2][CH3:1].[C:4]1(=[O:5])[CH2:6][CH2:7][N:8]([C:9](=[O:10])[O:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[C@H:19]1[CH3:20]>C1CCOC1.[Ce+3].Cl.Cl.Cl>[CH3:1][CH2:2][CH2:3][C@:4]1([OH:5])[CH2:6][CH2:7][N:8]([C:9](=[O:10])[O:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[C@H:19]1[CH3:20] SXRCSLUPXCTDRP-JTQLQIEISA-N.YQMARKZVVTYGOK-UHFFFAOYSA-M>>YJCKRSDCAFHSEX-BBRMVZONSA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4]-[C@;H0;D4;+0:5](-[C:6])(-[OH;D1;+0:7])-[CH2;D2;+0:1]-[C:2]>>Br-[Mg]-[CH2;D2;+0:1]-[C:2].[#7:3]-[C:4]-[C;H0;D3;+0:5](-[C:6])=[O;H0;D1;+0:7] 7a93be1ec220ead628239eb6b1dc8c3801cf03a35d865e7aee71ef06f909370d Br[Mg][CH3:19].[CH3:1][CH:2]([CH3:3])[C@@H:4]1[N:5]([C:6](=[O:7])[O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:16][CH2:17][C:18]1=[O:20]>CCOCC.[Ce+3].Cl.Cl.Cl>[CH3:1][CH:2]([CH3:3])[C@@H:4]1[N:5]([C:6](=[O:7])[O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:16][CH2:17][C@:18]1([CH3:19])[OH:20] AVFUHBJCUUTGCD-UHFFFAOYSA-M.OSEKQFNTRILJOS-AWEZNQCLSA-N>>CQJQPQWHHRINFV-HOCLYGCPSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3]-[C@@;H0;D4;+0:4](-[C:5])(-[CH3;D1;+0:1])-[OH;D1;+0:6]>>Br-[Mg]-[CH3;D1;+0:1].[#7:2]-[C:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 806ce87791e272e3388318574e176caaf25f8e49cd656cfb3e11b2cbdab07333 Br[Mg][CH2:2][CH3:1].[C:3]1(=[O:4])[CH2:5][CH2:6][N:7]([C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[C@H:18]1[CH:19]([CH3:20])[CH3:21]>CCOCC.[Ce+3].Cl.Cl.Cl>[CH3:1][CH2:2][C@:3]1([OH:4])[CH2:5][CH2:6][N:7]([C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[C@H:18]1[CH:19]([CH3:20])[CH3:21] OSEKQFNTRILJOS-AWEZNQCLSA-N.TWTWFMUQSOFTRN-UHFFFAOYSA-M>>NBKJCMYKYPLHMH-RDJZCZTQSA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4]-[C@;H0;D4;+0:5](-[C:6])(-[OH;D1;+0:7])-[CH2;D2;+0:1]-[C;D1;H3:2]>>Br-[Mg]-[CH2;D2;+0:1]-[C;D1;H3:2].[#7:3]-[C:4]-[C;H0;D3;+0:5](-[C:6])=[O;H0;D1;+0:7] 7a93be1ec220ead628239eb6b1dc8c3801cf03a35d865e7aee71ef06f909370d Br[Mg][CH:20]1[CH2:21][CH2:22]1.[CH3:1][CH:2]([CH3:3])[C@@H:4]1[N:5]([C:6](=[O:7])[O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:16][CH2:17][C:18]1=[O:19]>C1CCOC1.[Ce+3].Cl.Cl.Cl>[CH3:1][CH:2]([CH3:3])[C@@H:4]1[N:5]([C:6](=[O:7])[O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:16][CH2:17][C@@:18]1([OH:19])[CH:20]1[CH2:21][CH2:22]1 OSEKQFNTRILJOS-AWEZNQCLSA-N.QUPLLJGAJVXXBW-UHFFFAOYSA-M>>FVTLLNZUUWMAHN-FUHWJXTLSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5]-[C@;H0;D4;+0:6](-[C:7])(-[OH;D1;+0:8])-[CH;D3;+0:1]1-[C:2]-[C:3]-1>>Br-[Mg]-[CH;D3;+0:1]1-[C:2]-[C:3]-1.[#7:4]-[C:5]-[C;H0;D3;+0:6](-[C:7])=[O;H0;D1;+0:8] 822a76ecd906360171ec31d7f3125ed6a124a67948b1fb3631661b8658a9ddef Br[Mg][CH:18]1[CH2:19][CH2:20]1.[CH3:1][C@@H:2]1[N:3]([C:4](=[O:5])[O:6][CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][CH2:15][C:16]1=[O:17]>C1CCOC1.[Ce+3].Cl.Cl.Cl>[CH3:1][C@@H:2]1[N:3]([C:4](=[O:5])[O:6][CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[CH2:14][CH2:15][C@@:16]1([OH:17])[CH:18]1[CH2:19][CH2:20]1 QUPLLJGAJVXXBW-UHFFFAOYSA-M.SXRCSLUPXCTDRP-JTQLQIEISA-N>>ZTVSYHYSEOXISH-LRDDRELGSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5]-[C@;H0;D4;+0:6](-[C:7])(-[OH;D1;+0:8])-[CH;D3;+0:1]1-[C:2]-[C:3]-1>>Br-[Mg]-[CH;D3;+0:1]1-[C:2]-[C:3]-1.[#7:4]-[C:5]-[C;H0;D3;+0:6](-[C:7])=[O;H0;D1;+0:8] 822a76ecd906360171ec31d7f3125ed6a124a67948b1fb3631661b8658a9ddef Br[Mg][CH3:18].[CH3:1][CH2:2][C@@H:3]1[N:4]([C:5](=[O:6])[O:7][CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:15][CH2:16][C:17]1=[O:19]>CCOCC.[Ce+3].Cl.Cl.Cl>[CH3:1][CH2:2][C@@H:3]1[N:4]([C:5](=[O:6])[O:7][CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:15][CH2:16][C@:17]1([CH3:18])[OH:19] AVFUHBJCUUTGCD-UHFFFAOYSA-M.FAGMODXFYWQDDN-LBPRGKRZSA-N>>PSNZZSZMWGHDQS-ZFWWWQNUSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3]-[C@@;H0;D4;+0:4](-[C:5])(-[CH3;D1;+0:1])-[OH;D1;+0:6]>>Br-[Mg]-[CH3;D1;+0:1].[#7:2]-[C:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 806ce87791e272e3388318574e176caaf25f8e49cd656cfb3e11b2cbdab07333 Br[Mg][CH2:19][CH3:20].[CH3:1][CH2:2][C@@H:3]1[N:4]([C:5](=[O:6])[O:7][CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:15][CH2:16][C:17]1=[O:18]>CCOCC.[Ce+3].Cl.Cl.Cl>[CH3:1][CH2:2][C@@H:3]1[N:4]([C:5](=[O:6])[O:7][CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:15][CH2:16][C@@:17]1([OH:18])[CH2:19][CH3:20] FAGMODXFYWQDDN-LBPRGKRZSA-N.TWTWFMUQSOFTRN-UHFFFAOYSA-M>>PNWQMRGRWVYCAX-HOCLYGCPSA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4]-[C@;H0;D4;+0:5](-[C:6])(-[OH;D1;+0:7])-[CH2;D2;+0:1]-[C;D1;H3:2]>>Br-[Mg]-[CH2;D2;+0:1]-[C;D1;H3:2].[#7:3]-[C:4]-[C;H0;D3;+0:5](-[C:6])=[O;H0;D1;+0:7] 7a93be1ec220ead628239eb6b1dc8c3801cf03a35d865e7aee71ef06f909370d Br[Mg][CH:19]1[CH2:20][CH2:21]1.[CH3:1][CH2:2][C@@H:3]1[N:4]([C:5](=[O:6])[O:7][CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:15][CH2:16][C:17]1=[O:18]>C1CCOC1.[Ce+3].Cl.Cl.Cl>[CH3:1][CH2:2][C@@H:3]1[N:4]([C:5](=[O:6])[O:7][CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:15][CH2:16][C@@:17]1([OH:18])[CH:19]1[CH2:20][CH2:21]1 FAGMODXFYWQDDN-LBPRGKRZSA-N.QUPLLJGAJVXXBW-UHFFFAOYSA-M>>RRXGQAARAKOCEQ-DOTOQJQBSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5]-[C@;H0;D4;+0:6](-[C:7])(-[OH;D1;+0:8])-[CH;D3;+0:1]1-[C:2]-[C:3]-1>>Br-[Mg]-[CH;D3;+0:1]1-[C:2]-[C:3]-1.[#7:4]-[C:5]-[C;H0;D3;+0:6](-[C:7])=[O;H0;D1;+0:8] 822a76ecd906360171ec31d7f3125ed6a124a67948b1fb3631661b8658a9ddef C[CH:12]([C@@H:11]1[NH:10][CH2:16][CH2:15][C@:13]1(C1CC1)[OH:14])[CH3:17].F[c:9]1[cH:8][cH:7][c:4]([C:5]#[N:6])[c:3]([O:2][CH3:1])[cH:18]1>O=C(O)O.[Li+].[Li+]>[CH3:1][O:2][c:3]1[c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]([N:10]2[C@@H:11]([CH3:12])[C@@H:13]([OH:14])[CH2:15][C@H:16]2[CH3:17])[cH:18]1 HGBKZVIQHCUHRI-UHFFFAOYSA-N.VUQCUOATHJEFTP-VHSXEESVSA-N>>TZRAINODHCHQES-NRUUGDAUSA-N 0.0 Unrecognized False substrate controlled False [CH3;D1;+0:1]-[C:3]1-[C@@H;D3;+0:7](-[O;D1;H1:8])-[C:6]-[C@@H;D3;+0:5](-[CH3;D1;+0:2])-[N;H0;D3;+0:4]-1-[c;H0;D3;+0:9](:[c:10]):[c:11]>>C-[CH;D3;+0:1](-[CH3;D1;+0:2])-[C:3]1-[NH;D2;+0:4]-[CH2;D2;+0:5]-[C:6]-[C@@;H0;D4;+0:7]-1(-[O;D1;H1:8])-C1-C-C-1.F-[c;H0;D3;+0:9](:[c:10]):[c:11] 96a024d7759aca1b37a0cb5e21b820e753c4da5ac9fd030650bd0f020ba24a97 C[CH:1]([C@H:2]1[C@@:3](C2CC2)([OH:4])[CH2:5][CH2:6][NH:8]1)[CH3:7].F[c:9]1[cH:10][c:11]([Cl:12])[c:13]([C:14]#[N:15])[cH:16][cH:17]1>O=C(O)O.[Li+].[Li+]>[CH3:1][C@H:2]1[C@@H:3]([OH:4])[CH2:5][C@@H:6]([CH3:7])[N:8]1[c:9]1[cH:10][c:11]([Cl:12])[c:13]([C:14]#[N:15])[cH:16][cH:17]1 PGKPNNMOFHNZJX-UHFFFAOYSA-N.VUQCUOATHJEFTP-VHSXEESVSA-N>>WUXTZZVCUIKXIF-ZDMBXUJBSA-N 0.0 Unrecognized False substrate controlled False [CH3;D1;+0:1]-[C:3]1-[C@@H;D3;+0:7](-[O;D1;H1:8])-[C:6]-[C@@H;D3;+0:5](-[CH3;D1;+0:2])-[N;H0;D3;+0:4]-1-[c;H0;D3;+0:9](:[c:10]):[c:11]>>C-[CH;D3;+0:1](-[CH3;D1;+0:2])-[C:3]1-[NH;D2;+0:4]-[CH2;D2;+0:5]-[C:6]-[C@@;H0;D4;+0:7]-1(-[O;D1;H1:8])-C1-C-C-1.F-[c;H0;D3;+0:9](:[c:10]):[c:11] 96a024d7759aca1b37a0cb5e21b820e753c4da5ac9fd030650bd0f020ba24a97 C[CH:6]([C@@H:5]1[NH:4][CH2:10][CH2:9][C@:7]1(C1CC1)[OH:8])[CH3:11].F[c:3]1[c:2]([CH3:1])[c:17]([F:18])[c:14]([C:15]#[N:16])[cH:13][cH:12]1>O=C(O)O.[Li+].[Li+]>[CH3:1][c:2]1[c:3]([N:4]2[C@@H:5]([CH3:6])[C@@H:7]([OH:8])[CH2:9][C@H:10]2[CH3:11])[cH:12][cH:13][c:14]([C:15]#[N:16])[c:17]1[F:18] GNNHZCHETSTMOG-UHFFFAOYSA-N.VUQCUOATHJEFTP-VHSXEESVSA-N>>XAKKGSRQDVYDSB-DVYJOKAKSA-N 0.0 Unrecognized False substrate controlled False [CH3;D1;+0:2]-[C@@H;D3;+0:5]1-[C:6]-[C@H;D3;+0:7](-[O;D1;H1:8])-[C:3](-[CH3;D1;+0:1])-[N;H0;D3;+0:4]-1-[c;H0;D3;+0:9](:[c:10]):[c:11]>>C-[CH;D3;+0:1](-[CH3;D1;+0:2])-[C:3]1-[NH;D2;+0:4]-[CH2;D2;+0:5]-[C:6]-[C@@;H0;D4;+0:7]-1(-[O;D1;H1:8])-C1-C-C-1.F-[c;H0;D3;+0:9](:[c:10]):[c:11] 96a024d7759aca1b37a0cb5e21b820e753c4da5ac9fd030650bd0f020ba24a97 CS(=O)(=O)O[C@H:4]1[CH2:5][CH2:6][O:7][C@@H:8]([CH:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22]1.[N-:1]=[N+:2]=[N-:3]>CN(C)C=O.[Na+]>[N-:1]=[N+:2]=[N:3][C@@H:4]1[CH2:5][CH2:6][O:7][C@@H:8]([CH:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22]1 HQJGCIRPZACKTP-ZWKOTPCHSA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>CXCJOBFPXRJGHS-IAGOWNOFSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] e79cd9ff929b7823a9a1d3ebd47f2eb0444b747171361724dee4b1aadfcac2ef [CH3:1][O:2][C:3](=[O:4])[CH2:5][C:6](=[O:7])[C@H:8]([NH:9][C:10](=[O:11])[O:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[CH:20]([CH3:21])[CH3:22]>CO.B.[K+]>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@H:6]([OH:7])[C@H:8]([NH:9][C:10](=[O:11])[O:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[CH:20]([CH3:21])[CH3:22] XRKMJFBWDYVJRJ-OAHLLOKOSA-N>>TVGQJNGWCNAQOR-DZGCQCFKSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8] 6d22697717f18276a46a829d2506058ec35ca7c95a696f7fd2a8edc46f88faeb [CH3:1][O:2][C:3](=[O:4])[CH2:5][C:6](=[O:7])[C@H:8]([NH:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH:17]([CH3:18])[CH3:19]>CO.B.[K+]>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@H:6]([OH:7])[C@H:8]([NH:9][C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH:17]([CH3:18])[CH3:19] DDNICKQGRHYVOS-LLVKDONJSA-N>>BXCPYVYTJUUMQM-GXSJLCMTSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8] 6d22697717f18276a46a829d2506058ec35ca7c95a696f7fd2a8edc46f88faeb [CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]([CH:9]3[CH2:10][CH2:11][CH2:12][CH2:13]3)[c:14]1[C:15](=[O:16])[c:17]1[cH:18][cH:19][c:20]([C:21]([F:22])([F:23])[F:24])[cH:25][cH:26]1)[C:27](=[O:28])[CH2:29][C:30]([CH3:31])([CH3:32])[CH2:33]2>C1CCOC1.CO.N[C@@H]1c2ccccc2C[C@@H]1O>[CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]([CH:9]3[CH2:10][CH2:11][CH2:12][CH2:13]3)[c:14]1[C:15](=[O:16])[c:17]1[cH:18][cH:19][c:20]([C:21]([F:22])([F:23])[F:24])[cH:25][cH:26]1)[C@@H:27]([OH:28])[CH2:29][C:30]([CH3:31])([CH3:32])[CH2:33]2 SIBLHKUJCJDIPX-UHFFFAOYSA-N>>PBCAMEZSDULOMI-FQEVSTJZSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 8195ad48987c12d459870b75bedef46a37480b4c6c44771b180631aa2774a53a [CH3:1][C:2]([CH3:3])([CH3:4])[NH:5][c:6]1[cH:7][cH:8][c:9]2[c:24]([n:25]1)[C:22](=[O:23])[CH2:21][CH2:20][C@@H:11]([c:12]1[c:13]([F:14])[c:15]([F:16])[cH:17][cH:18][cH:19]1)[CH2:10]2>CO.B.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[NH:5][c:6]1[cH:7][cH:8][c:9]2[c:24]([n:25]1)[C@H:22]([OH:23])[CH2:21][CH2:20][C@@H:11]([c:12]1[c:13]([F:14])[c:15]([F:16])[cH:17][cH:18][cH:19]1)[CH2:10]2 UTLIMYWBQPOZSX-GFCCVEGCSA-N>>PKDNPZLEFJCYGT-MLGOLLRUSA-N 0.0 Unrecognized False substrate controlled False [#7;a:1]:[c:2]-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#7;a:1]:[c:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 4672cc10e7f17fd78b474dab59cad4434e7eecbb4579adc8c4c1468d077e6b1e [CH3:1][C:2](=[O:3])[c:4]1[c:5]([F:6])[cH:7][cH:8][cH:9][cH:10]1>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CO.CSC.ClCCl.O>[CH3:1][C@@H:2]([OH:3])[c:4]1[c:5]([F:6])[cH:7][cH:8][cH:9][cH:10]1 QMATYTFXDIWACW-UHFFFAOYSA-N>>SXFYVXSOEBCFLV-ZCFIWIBFSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CSC>[CH3:1][C@@H:2]([OH:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1 KWOLFJPFCHCOCG-UHFFFAOYSA-N>>WAPNOHKVXSQRPX-SSDOTTSWSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][C:2](=[O:3])[c:4]1[c:5]([F:6])[cH:7][cH:8][cH:9][cH:10]1>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12>[CH3:1][C@H:2]([OH:3])[c:4]1[c:5]([F:6])[cH:7][cH:8][cH:9][cH:10]1 QMATYTFXDIWACW-UHFFFAOYSA-N>>SXFYVXSOEBCFLV-LURJTMIESA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][C:2](=[O:3])[c:4]1[c:5]([Cl:6])[cH:7][cH:8][cH:9][cH:10]1>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12>[CH3:1][C@H:2]([OH:3])[c:4]1[c:5]([Cl:6])[cH:7][cH:8][cH:9][cH:10]1 ZDOYHCIRUPHUHN-UHFFFAOYSA-N>>DDUBOVLGCYUYFX-LURJTMIESA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][c:2]1[c:3]([C:4]([CH3:5])=[O:6])[cH:7][cH:8][cH:9][cH:10]1>CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12>[CH3:1][c:2]1[c:3]([C@@H:4]([CH3:5])[OH:6])[cH:7][cH:8][cH:9][cH:10]1 YXWWHNCQZBVZPV-UHFFFAOYSA-N>>SDCBYRLJYGORNK-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][C:2](=[O:3])[c:4]1[cH:5][c:6]([Br:7])[cH:8][c:9]([Br:10])[cH:11]1>CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12>[CH3:1][C@@H:2]([OH:3])[c:4]1[cH:5][c:6]([Br:7])[cH:8][c:9]([Br:10])[cH:11]1 NHFJDRRYVMJBRJ-UHFFFAOYSA-N>>GCBDPOGOUBGIIC-RXMQYKEDSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][c:8]([OH:9])[cH:10]1>CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12>[CH3:1][C@@H:2]([OH:3])[c:4]1[cH:5][cH:6][cH:7][c:8]([OH:9])[cH:10]1 LUJMEECXHPYQOF-UHFFFAOYSA-N>>COJRWHSKVYUZHQ-ZCFIWIBFSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [O:1]=[C:2]([OH:3])[C:4](=[O:5])[CH2:6][c:7]1[c:8]([N+:9](=[O:10])[O-:11])[cH:12][cH:13][cH:14][cH:15]1>CCN(CC)CC.CCN(CC)CC.CO.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)cc1.O=CO>[O:1]=[C:2]([OH:3])[C@H:4]([OH:5])[CH2:6][c:7]1[c:8]([N+:9](=[O:10])[O-:11])[cH:12][cH:13][cH:14][cH:15]1 CGCWRLDEYHZQCW-UHFFFAOYSA-N>>IEHZEDWCLJYWMU-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4](=[O;D1;H0:5])-[O;D1;H1:6]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4](=[O;D1;H0:5])-[O;D1;H1:6] 3b2543c806d119f988a79a599293c112b9a5c6b14618e56965da4b772b8aeac0 [O:1]=[C:2]([OH:3])[C:4](=[O:5])[CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1>CCN(CC)CC.CCN(CC)CC.CO.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)cc1.O=CO>[O:1]=[C:2]([OH:3])[C@H:4]([OH:5])[CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1 BTNMPGBKDVTSJY-UHFFFAOYSA-N>>VOXXWSYKYCBWHO-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4](=[O;D1;H0:5])-[O;D1;H1:6]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4](=[O;D1;H0:5])-[O;D1;H1:6] 3b2543c806d119f988a79a599293c112b9a5c6b14618e56965da4b772b8aeac0 [CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]([CH:9]3[CH2:10][CH2:11][CH2:12][CH2:13]3)[c:14]1[C:15](=[O:16])[c:17]1[cH:18][cH:19][c:20]([C:21]([F:22])([F:23])[F:24])[cH:25][cH:26]1)[C:27](=[O:28])[CH2:29][C:30]([CH3:31])([CH3:32])[CH2:33]2>C1CCOC1.CO.N[C@@H]1c2ccccc2C[C@@H]1O>[CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]([CH:9]3[CH2:10][CH2:11][CH2:12][CH2:13]3)[c:14]1[C:15](=[O:16])[c:17]1[cH:18][cH:19][c:20]([C:21]([F:22])([F:23])[F:24])[cH:25][cH:26]1)[C@@H:27]([OH:28])[CH2:29][C:30]([CH3:31])([CH3:32])[CH2:33]2 SIBLHKUJCJDIPX-UHFFFAOYSA-N>>PBCAMEZSDULOMI-FQEVSTJZSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 59818681547a35b540f5f8f7dbade1077a9ae258660c4149c86b99538d1ed2c0 [O:1]=[C:2]([OH:3])[C:4](=[O:5])[CH2:6][c:7]1[c:8]([N+:9](=[O:10])[O-:11])[cH:12][cH:13][cH:14][cH:15]1>CCN(CC)CC.CCN(CC)CC.CO.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)cc1.O=CO>[O:1]=[C:2]([OH:3])[C@H:4]([OH:5])[CH2:6][c:7]1[c:8]([N+:9](=[O:10])[O-:11])[cH:12][cH:13][cH:14][cH:15]1 CGCWRLDEYHZQCW-UHFFFAOYSA-N>>IEHZEDWCLJYWMU-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4](=[O;D1;H0:5])-[O;D1;H1:6]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4](=[O;D1;H0:5])-[O;D1;H1:6] 5b439e6a69d98e64932bc910d12b9d9507366ff03df6822aa22ba754d37a0b91 [O:1]=[C:2]([OH:3])[C:4](=[O:5])[CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1>CCN(CC)CC.CCN(CC)CC.CO.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)cc1.O=CO>[O:1]=[C:2]([OH:3])[C@H:4]([OH:5])[CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1 BTNMPGBKDVTSJY-UHFFFAOYSA-N>>VOXXWSYKYCBWHO-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4](=[O;D1;H0:5])-[O;D1;H1:6]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4](=[O;D1;H0:5])-[O;D1;H1:6] 5b439e6a69d98e64932bc910d12b9d9507366ff03df6822aa22ba754d37a0b91 [O:1]=[C:2]([OH:3])[C:4](=[O:5])[CH2:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1>CCN(CC)CC.CCN(CC)CC.CO.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)cc1.O=CO>[O:1]=[C:2]([OH:3])[C@H:4]([OH:5])[CH2:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1 PPKAIMDMNWBOKN-UHFFFAOYSA-N>>JNJCEALGCZSIGB-SECBINFHSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4](=[O;D1;H0:5])-[O;D1;H1:6]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4](=[O;D1;H0:5])-[O;D1;H1:6] 3b2543c806d119f988a79a599293c112b9a5c6b14618e56965da4b772b8aeac0 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]2([CH2:12][CH2:13]2)[C:14](=[O:15])[CH2:16]1>CCCCCCC.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O.O.O.O.O.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=S(=O)(O)CCN1CCOCC1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.Cl.Cl.[Mg+2].[Na+].O>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]2([CH2:12][CH2:13]2)[C@H:14]([OH:15])[CH2:16]1 UCGIBIIHRXRKHW-UHFFFAOYSA-N>>MQOLTEHTFKRZNV-SECBINFHSA-N 0.0 Unrecognized False reagent controlled False [#7:1]-[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 24a10c55c777a445640c9a082c0e3e06b05e2ae67a251c9c99a2481cce24d018 [O:1]=[C:2]1[CH2:3][N:4]([CH2:5][c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[CH2:12][CH2:13][C:14]12[CH2:15][CH2:16]2>CC(C)O.Cl.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Cl.Cl.[Mg+2].[Na+].O>[OH:1][C@@H:2]1[CH2:3][N:4]([CH2:5][c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[CH2:12][CH2:13][C:14]12[CH2:15][CH2:16]2 QKYTURSBAUAOBW-UHFFFAOYSA-N>>JWSLQKOQLDDQHH-CYBMUJFWSA-N 0.0 Unrecognized False reagent controlled False [#7:1]-[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 24a10c55c777a445640c9a082c0e3e06b05e2ae67a251c9c99a2481cce24d018 [CH3:1][C@H:2]1[CH2:3][C:4](=[O:5])[CH2:6][N:7]([CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:15]1>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.O.[K+]>[CH3:1][C@H:2]1[CH2:3][C@H:4]([OH:5])[CH2:6][N:7]([CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:15]1 LQHLLGBMPQNQLJ-NSHDSACASA-N>>ADFBVTAJGJLTTL-AAEUAGOBSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 24a10c55c777a445640c9a082c0e3e06b05e2ae67a251c9c99a2481cce24d018 O[C@H:12]1[CH2:13][CH2:14][C@@H:15]([c:16]2[cH:17][cH:18][cH:19][n:20][cH:21]2)[CH2:22]1.[O:1]=[C:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[C:9](=[O:10])[NH:11]1>C1CCOC1.CC(C)OC(=O)/N=N/C(=O)OC(C)C.CCOC(C)=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[O:1]=[C:2]1[c:3]2[cH:4][cH:5][cH:6][cH:7][c:8]2[C:9](=[O:10])[N:11]1[C@@H:12]1[CH2:13][CH2:14][C@@H:15]([c:16]2[cH:17][cH:18][cH:19][n:20][cH:21]2)[CH2:22]1 QPBQALHZRHAFNC-SCZZXKLOSA-N.XKJCHHZQLQNZHY-UHFFFAOYSA-N>>RSYTTYIWJUFUEK-TZMCWYRMSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C:3])-[N;H0;D3;+0:6]1-[C:7](=[O;D1;H0:8])-[c:9]2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2-[C:5]-1=[O;D1;H0:4]>>O-[C@@H;D3;+0:1](-[C:2])-[C:3].[O;D1;H0:4]=[C:5]1-[NH;D2;+0:6]-[C:7](=[O;D1;H0:8])-[c:9]2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2-1 02a886d832aae308fc32aede35a06c83c07e9a2be5d99a7d8b68eccf21ccbbed [O:1]=[C:2]([OH:3])[C:4](=[O:5])[CH2:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1>CCN(CC)CC.CCN(CC)CC.CO.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)cc1.O=CO>[O:1]=[C:2]([OH:3])[C@H:4]([OH:5])[CH2:6][CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1 PPKAIMDMNWBOKN-UHFFFAOYSA-N>>JNJCEALGCZSIGB-SECBINFHSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4](=[O;D1;H0:5])-[O;D1;H1:6]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4](=[O;D1;H0:5])-[O;D1;H1:6] 5b439e6a69d98e64932bc910d12b9d9507366ff03df6822aa22ba754d37a0b91 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]2([CH2:12][CH2:13]2)[C:14](=[O:15])[CH2:16]1>CCCCCCC.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O.O.O.O.O.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=S(=O)(O)CCN1CCOCC1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.Cl.Cl.[Mg+2].[Na+].O>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11]2([CH2:12][CH2:13]2)[C@H:14]([OH:15])[CH2:16]1 UCGIBIIHRXRKHW-UHFFFAOYSA-N>>MQOLTEHTFKRZNV-SECBINFHSA-N 0.0 Unrecognized False reagent controlled True [#7:1]-[C:2]-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] c7141aa1a34c4e147cfd9de52aa8c78fb066c1910e339995b420913d91a2e11a [O:1]=[C:2]1[CH2:3][N:4]([CH2:5][c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[CH2:12][CH2:13][C:14]12[CH2:15][CH2:16]2>CC(C)O.Cl.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Cl.Cl.[Mg+2].[Na+].O>[OH:1][C@@H:2]1[CH2:3][N:4]([CH2:5][c:6]2[cH:7][cH:8][cH:9][cH:10][cH:11]2)[CH2:12][CH2:13][C:14]12[CH2:15][CH2:16]2 QKYTURSBAUAOBW-UHFFFAOYSA-N>>JWSLQKOQLDDQHH-CYBMUJFWSA-N 0.0 Unrecognized False reagent controlled True [#7:1]-[C:2]-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] c7141aa1a34c4e147cfd9de52aa8c78fb066c1910e339995b420913d91a2e11a Br[CH2:13][c:12]1[cH:11][cH:10][c:9]2[cH:8][n:7][n:6]([CH2:5][CH2:4][CH2:3][O:2][CH3:1])[c:34]2[cH:33]1.[CH2:14]([C:15](=[O:16])[N:17]1[C:18](=[O:19])[O:20][CH2:21][C@H:22]1[CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[CH:30]([CH3:31])[CH3:32]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.Cl.[Li]CCCC.N>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][n:6]1[n:7][cH:8][c:9]2[cH:10][cH:11][c:12]([CH2:13][C@@H:14]([C:15](=[O:16])[N:17]3[C:18](=[O:19])[O:20][CH2:21][C@H:22]3[CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[CH:30]([CH3:31])[CH3:32])[cH:33][c:34]12 JHGXEUXQJIKZMY-CYBMUJFWSA-N.LLHOFZDISDTNHY-UHFFFAOYSA-N>>BYPSZQJOXBSFTJ-DNQXCXABSA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[C:7])-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]-[C:4](=[O;D1;H0:5])-[CH2;D2;+0:6]-[C:7] f5b34d4e85989cf9c6bd7da35887728ff2172ffe1e9da70d2e850fb1076c7320 Br[CH2:16][C@H:17]([CH2:18][c:19]1[cH:20][cH:21][c:22]2[cH:23][n:24][n:25]([CH2:26][CH2:27][CH2:28][O:29][CH3:30])[c:31]2[cH:32]1)[CH:33]([CH3:34])[CH3:35].[CH3:1][CH2:2][O:3][C:4]1=[N:5][C@H:6]([CH:7]([CH3:8])[CH3:9])[C:10]([O:11][CH2:12][CH3:13])=[N:14][CH2:15]1>C1CCOC1.CCCCCC.[Li]CCCC>[CH3:1][CH2:2][O:3][C:4]1=[N:5][C@H:6]([CH:7]([CH3:8])[CH3:9])[C:10]([O:11][CH2:12][CH3:13])=[N:14][C@H:15]1[CH2:16][C@H:17]([CH2:18][c:19]1[cH:20][cH:21][c:22]2[cH:23][n:24][n:25]([CH2:26][CH2:27][CH2:28][O:29][CH3:30])[c:31]2[cH:32]1)[CH:33]([CH3:34])[CH3:35] GOZJWTIKPIWSOG-INIZCTEOSA-N.HRAZLOIRFUQOPL-SNVBAGLBSA-N>>YCXQLHCROKNMLV-KYPHJKQUSA-N 0.0 Unrecognized False substrate controlled False [#7:3]=[C:4]-[C@@H;D3;+0:5](-[#7:6]=[C:7])-[CH2;D2;+0:1]-[C:2]>>Br-[CH2;D2;+0:1]-[C:2].[#7:3]=[C:4]-[CH2;D2;+0:5]-[#7:6]=[C:7] bff9ff3f74e36c076bc6a9093555169c3002e14214cbc0d95cf451ea5f90f486 Br[CH2:16][C@H:17]([CH2:18][O:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[CH:27]([CH3:28])[CH3:29].[CH3:1][CH2:2][O:3][C:4]1=[N:5][C@H:6]([CH:7]([CH3:8])[CH3:9])[C:10]([O:11][CH2:12][CH3:13])=[N:14][CH2:15]1>C1CCOC1.[Li]CCCC>[CH3:1][CH2:2][O:3][C:4]1=[N:5][C@H:6]([CH:7]([CH3:8])[CH3:9])[C:10]([O:11][CH2:12][CH3:13])=[N:14][C@H:15]1[CH2:16][C@H:17]([CH2:18][O:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[CH:27]([CH3:28])[CH3:29] ADRDHWGOETUEBH-CYBMUJFWSA-N.HRAZLOIRFUQOPL-SNVBAGLBSA-N>>HNSZFBRRRPFITK-BHIFYINESA-N 0.0 Unrecognized False substrate controlled False [#7:3]=[C:4]-[C@@H;D3;+0:5](-[#7:6]=[C:7])-[CH2;D2;+0:1]-[C:2]>>Br-[CH2;D2;+0:1]-[C:2].[#7:3]=[C:4]-[CH2;D2;+0:5]-[#7:6]=[C:7] bff9ff3f74e36c076bc6a9093555169c3002e14214cbc0d95cf451ea5f90f486 [CH3:1][C:2](=[O:3])[c:4]1[cH:5][c:6]([S:7]([CH3:8])(=[O:9])=[O:10])[cH:11][cH:12][cH:13]1>C1CCOC1.COB(OC)OC.OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1>[CH3:1][C@@H:2]([OH:3])[c:4]1[cH:5][c:6]([S:7]([CH3:8])(=[O:9])=[O:10])[cH:11][cH:12][cH:13]1 KXBGSIFAYKVMKG-UHFFFAOYSA-N>>AIQAQFDMERPUAH-SSDOTTSWSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@H:9]1[CH2:10][S:11][CH2:12][C@@H:13]([CH2:14][c:15]2[cH:16][c:17]([F:18])[c:19]([N+:20](=[O:21])[O-:22])[cH:23][cH:24]2)[C:25]1=[O:26]>C1CCOC1.C1CCOCC1.C1CCOCC1.O=S(=O)(O)O.[B-].[B-].[Ca+2].[K+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@H:9]1[CH2:10][S:11][CH2:12][C@@H:13]([CH2:14][c:15]2[cH:16][c:17]([F:18])[c:19]([N+:20](=[O:21])[O-:22])[cH:23][cH:24]2)[C@H:25]1[OH:26] ZIALPENHJCLNER-YPMHNXCESA-N>>IXQYECNQJZOQSK-OSAQELSMSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@H:9]1[CH2:10][S:11][CH2:12][C@@H:13]([CH2:14][c:15]2[cH:16][c:17]([F:18])[c:19]([N+:20](=[O:21])[O-:22])[c:23]([F:24])[cH:25]2)[C:26]1=[O:27]>C1CCOC1.[Al+3].[HH].[HH].[HH].[HH].[Li+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@H:9]1[CH2:10][S:11][CH2:12][C@@H:13]([CH2:14][c:15]2[cH:16][c:17]([F:18])[c:19]([N+:20](=[O:21])[O-:22])[c:23]([F:24])[cH:25]2)[C@@H:26]1[OH:27] GCJKBRXBLUNIFL-MFKMUULPSA-N>>KKHAXNUWSBBHMO-DGFSRKRXSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 O[C@@:24]1([CH3:25])[C@H:12]([CH2:11][S:10][c:5]2[cH:4][c:3]([O:2][CH3:1])[cH:9][c:7]([CH3:8])[cH:6]2)[C@@:13]2([CH3:14])[CH2:15][CH2:16][CH2:17][C:18]([CH3:19])([CH3:20])[C@@H:21]2[CH2:22][CH2:23]1>ClCCl.Cl[Sn](Cl)(Cl)Cl.O>[CH3:1][O:2][c:3]1[c:4]2[c:5]([cH:6][c:7]([CH3:8])[cH:9]1)[S:10][CH2:11][C@@H:12]1[C@@:13]3([CH3:14])[CH2:15][CH2:16][CH2:17][C:18]([CH3:19])([CH3:20])[C@@H:21]3[CH2:22][CH2:23][C@@:24]21[CH3:25] AJRZPCRCSXNVKT-PABCKOPISA-N>>GUDNLJNTVKVCIR-JFSTXAPLSA-N 0.0 Unrecognized True stereospecific False [C@;H0;D4;+0:1]1-[C@H;D3;+0:2]-[CH2;D2;+0:3]-[S;H0;D2;+0:4]-[c;H0;D3;+0:5]:[c;H0;D3;+0:6]-1>>O-[C@@;H0;D4;+0:1]-[C@H;D3;+0:2]-[CH2;D2;+0:3]-[S;H0;D2;+0:4]-[c;H0;D3;+0:5]:[cH;D2;+0:6] 04372f45aafa2b626a7291ef55f525da42cb4bd34aa1ab759fe91419335e849d O[C@@:25]1([CH3:26])[C@H:13]([CH2:12][S:11][c:9]2[cH:8][c:5]([O:6][CH3:7])[cH:4][c:3]([O:2][CH3:1])[cH:10]2)[C@@:14]2([CH3:15])[CH2:16][CH2:17][CH2:18][C:19]([CH3:20])([CH3:21])[C@@H:22]2[CH2:23][CH2:24]1>ClCCl.Cl[Sn](Cl)(Cl)Cl.O>[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[c:8]2[c:9]([cH:10]1)[S:11][CH2:12][C@@H:13]1[C@@:14]3([CH3:15])[CH2:16][CH2:17][CH2:18][C:19]([CH3:20])([CH3:21])[C@@H:22]3[CH2:23][CH2:24][C@@:25]21[CH3:26] GQMYLXXHVSPEKI-PABCKOPISA-N>>UNHDOWNXRSDWOY-JFSTXAPLSA-N 0.0 Unrecognized True stereospecific False [C@;H0;D4;+0:1]1-[C@H;D3;+0:2]-[CH2;D2;+0:3]-[S;H0;D2;+0:4]-[c;H0;D3;+0:5]:[c;H0;D3;+0:6]-1>>O-[C@@;H0;D4;+0:1]-[C@H;D3;+0:2]-[CH2;D2;+0:3]-[S;H0;D2;+0:4]-[c;H0;D3;+0:5]:[cH;D2;+0:6] 04372f45aafa2b626a7291ef55f525da42cb4bd34aa1ab759fe91419335e849d O[C@@:23]1([CH3:24])[C@H:11]([CH2:10][S:9][c:7]2[cH:6][cH:5][cH:4][c:3]([O:2][CH3:1])[cH:8]2)[C@@:12]2([CH3:13])[CH2:14][CH2:15][CH2:16][C:17]([CH3:18])([CH3:19])[C@@H:20]2[CH2:21][CH2:22]1>ClCCl.Cl[Sn](Cl)(Cl)Cl>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:8]1)[S:9][CH2:10][C@@H:11]1[C@@:12]3([CH3:13])[CH2:14][CH2:15][CH2:16][C:17]([CH3:18])([CH3:19])[C@@H:20]3[CH2:21][CH2:22][C@@:23]21[CH3:24] UBJNOBWQEIATMV-YUVXSKOASA-N>>AJUZCQNJNBFOBQ-LGGPRVQUSA-N 0.0 Unrecognized True stereospecific False [C@;H0;D4;+0:1]1-[C@H;D3;+0:2]-[CH2;D2;+0:3]-[S;H0;D2;+0:4]-[c;H0;D3;+0:5]:[c;H0;D3;+0:6]-1>>O-[C@@;H0;D4;+0:1]-[C@H;D3;+0:2]-[CH2;D2;+0:3]-[S;H0;D2;+0:4]-[c;H0;D3;+0:5]:[cH;D2;+0:6] 04372f45aafa2b626a7291ef55f525da42cb4bd34aa1ab759fe91419335e849d CS(=O)(=O)O[C@@H:6]1[CH2:7][CH2:8][N:9]([c:10]2[n:11][cH:12][c:13]([Br:14])[cH:15][cH:16]2)[CH2:17]1.[F:1][C@@H:2]1[CH2:3][CH2:4][NH:5][CH2:18]1>CCOC(C)=O.CN(C)C=O.Cl.O=C(O)O.[Cs+].[Cs+]>[F:1][C@@H:2]1[CH2:3][CH2:4][N:5]([C@H:6]2[CH2:7][CH2:8][N:9]([c:10]3[n:11][cH:12][c:13]([Br:14])[cH:15][cH:16]3)[CH2:17]2)[CH2:18]1 CDDGNGVFPQRJJM-SCSAIBSYSA-N.CJBUPLZFLDOBND-SECBINFHSA-N>>MBQUTYJJPNCVSZ-NEPJUHHUSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[N;H0;D3;+0:6](-[C:5])-[C:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C:5]-[NH;D2;+0:6]-[C:7] c4cd6cb8c369520c92e638023f8c455506ed6a1095af0acf18679c4e0df172df CS(=O)(=O)O[C@H:6]1[CH2:7][CH2:8][N:9]([c:10]2[n:11][cH:12][c:13]([Br:14])[cH:15][cH:16]2)[CH2:17]1.[F:1][C@@H:2]1[CH2:3][CH2:4][NH:5][CH2:18]1>CN(C)C=O.Cl.ClCCl.O=C(O)O.[Cs+].[Cs+]>[F:1][C@@H:2]1[CH2:3][CH2:4][N:5]([C@@H:6]2[CH2:7][CH2:8][N:9]([c:10]3[n:11][cH:12][c:13]([Br:14])[cH:15][cH:16]3)[CH2:17]2)[CH2:18]1 CDDGNGVFPQRJJM-SCSAIBSYSA-N.CJBUPLZFLDOBND-VIFPVBQESA-N>>MBQUTYJJPNCVSZ-VXGBXAGGSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@@H;D3;+0:1](-[C:2])-[N;H0;D3;+0:6](-[C:5])-[C:7]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C:5]-[NH;D2;+0:6]-[C:7] 157697b1e38caead426da2bdfa8b8106c309cc654710148bee67cc4f1f517c9a [O:1]=[C:2]([CH2:3][Br:4])[c:5]1[cH:6][cH:7][c:8]([Br:9])[cH:10][cH:11]1>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CO.Cc1ccccc1.Cl.ClCCl>[OH:1][C@H:2]([CH2:3][Br:4])[c:5]1[cH:6][cH:7][c:8]([Br:9])[cH:10][cH:11]1 FKJSFKCZZIXQIP-UHFFFAOYSA-N>>ZOCCHBFOKYCUST-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C:17](=[O:18])[CH2:19][Cl:20]>C1CCOC1.O.B.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]([OH:18])[CH2:19][Cl:20] JAKDNFBATYIEIE-GFCCVEGCSA-N>>GFGQSTIUFXHAJS-OLZOCXBDSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@H:9]([CH2:10][c:11]1[c:12]([F:13])[cH:14][cH:15][c:16]([F:17])[cH:18]1)[C:19](=[O:20])[CH2:21][Cl:22]>C1CCOC1.O.B.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@H:9]([CH2:10][c:11]1[c:12]([F:13])[cH:14][cH:15][c:16]([F:17])[cH:18]1)[C@@H:19]([OH:20])[CH2:21][Cl:22] POFSOBSHXBVVDP-GFCCVEGCSA-N>>UVVZWASVMODWER-OLZOCXBDSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C:2](=[O:3])[c:4]1[cH:5][c:6]([S:7]([CH3:8])(=[O:9])=[O:10])[cH:11][cH:12][cH:13]1>C1CCOC1.COB(OC)OC.OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1>[CH3:1][C@@H:2]([OH:3])[c:4]1[cH:5][c:6]([S:7]([CH3:8])(=[O:9])=[O:10])[cH:11][cH:12][cH:13]1 KXBGSIFAYKVMKG-UHFFFAOYSA-N>>AIQAQFDMERPUAH-SSDOTTSWSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [O:1]=[C:2]([CH2:3][Br:4])[c:5]1[cH:6][cH:7][c:8]([Br:9])[cH:10][cH:11]1>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CO.Cc1ccccc1.Cl.ClCCl>[OH:1][C@H:2]([CH2:3][Br:4])[c:5]1[cH:6][cH:7][c:8]([Br:9])[cH:10][cH:11]1 FKJSFKCZZIXQIP-UHFFFAOYSA-N>>ZOCCHBFOKYCUST-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][O:2][C:3](=[O:4])[C:5](=[CH:6][c:7]1[c:8]([F:9])[cH:10][cH:11][c:12]([F:13])[cH:14]1)[NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22]>CC[C@@H]1CC[C@@H](CC)P1c1ccccc1P1[C@H](CC)CC[C@H]1CC.CO.F[B-](F)(F)F.[CH]1[CH]CC[CH][CH]CC1.[Rh]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([CH2:6][c:7]1[c:8]([F:9])[cH:10][cH:11][c:12]([F:13])[cH:14]1)[NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22] OMDHJEIPRAOHJG-UHFFFAOYSA-N>>DARKPXOKYWMLBE-GFCCVEGCSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[#7:6]-[C:7](=[O;D1;H0:8])-[#8:9]-[C:10](-[C;D1;H3:11])(-[C;D1;H3:12])-[C;D1;H3:13])-[CH2;D2;+0:14]-[c:15]>>[C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C;H0;D3;+0:5](-[#7:6]-[C:7](=[O;D1;H0:8])-[#8:9]-[C:10](-[C;D1;H3:11])(-[C;D1;H3:12])-[C;D1;H3:13])=[CH;D2;+0:14]-[c:15] d7bc32a6bd2f844f81efa7699af9f69cd1ab0fa99c14e6289f2518cd953b985b [CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][C:7](=[O:8])[c:9]1[cH:10][c:11]([CH3:12])[c:13]([F:14])[cH:15][cH:16]1>B.C1CCOC1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.Cc1ccccc1>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][C@@H:7]([OH:8])[c:9]1[cH:10][c:11]([CH3:12])[c:13]([F:14])[cH:15][cH:16]1 NHXQDJOGXUKNOX-UHFFFAOYSA-N>>NOGDZHFNIFXHEL-LLVKDONJSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][C:7](=[O:8])[c:9]1[cH:10][cH:11][c:12]([F:13])[cH:14][cH:15]1>B.C1CCOC1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][C@@H:7]([OH:8])[c:9]1[cH:10][cH:11][c:12]([F:13])[cH:14][cH:15]1 WVLOAJPINXKMAW-UHFFFAOYSA-N>>YKKRKCWTEBCSBO-SNVBAGLBSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[Na+].O>[CH3:1][C@H:2]([OH:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1 KWOLFJPFCHCOCG-UHFFFAOYSA-N>>WAPNOHKVXSQRPX-ZETCQYMHSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c CO[C:40]([c:39]1[n:14]([CH2:13][CH:12]=O)[cH:15][c:16]([C:17](=[O:18])[NH:19][CH2:20][c:21]2[cH:22][cH:23][c:24]([F:25])[cH:26][cH:27]2)[c:28](=[O:29])[c:30]1[O:31][CH2:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)=[O:41].[CH3:1][C@@H:2]([CH2:3][CH2:4][NH:5][CH:6]1[CH2:7][CH2:8][S:9][CH2:10][CH2:11]1)[NH2:42]>CC(=O)O.ClCCl>[CH3:1][C@H:2]1[CH2:3][CH2:4][N:5]([CH:6]2[CH2:7][CH2:8][S:9][CH2:10][CH2:11]2)[C@@H:12]2[CH2:13][n:14]3[cH:15][c:16]([C:17](=[O:18])[NH:19][CH2:20][c:21]4[cH:22][cH:23][c:24]([F:25])[cH:26][cH:27]4)[c:28](=[O:29])[c:30]([O:31][CH2:32][c:33]4[cH:34][cH:35][cH:36][cH:37][cH:38]4)[c:39]3[C:40](=[O:41])[N:42]12 KAWZROLGFVVQQX-QMMMGPOBSA-N.NBANPWNFLURNRW-UHFFFAOYSA-N>>YBVLWROXPARNLZ-IDISGSTGSA-N 0.0 Unrecognized True substrate controlled False [O;H0;D1;+0:2]=[C;H0;D3;+0:1]1-[c;H0;D3;+0:3]:[n;H0;D3;+0:4]-[CH2;D2;+0:5]-[C@H;D3;+0:6]2-[N;H0;D3;+0:11]-[CH2;D2;+0:10]-[CH2;D2;+0:9]-[C@@H;D3;+0:8]-[N;H0;D3;+0:7]-1-2>>C-O-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[c;H0;D3;+0:3]:[n;H0;D3;+0:4]-[CH2;D2;+0:5]-[CH;D2;+0:6]=O.[NH2;D1;+0:7]-[C@@H;D3;+0:8]-[CH2;D2;+0:9]-[CH2;D2;+0:10]-[NH;D2;+0:11] fe2015f02e201d2795cc74aa6c0dafe769e7c5bc0a58c2d8149cc89388ffebd4 CO[C:10](=[O:11])[c:12]1[c:13]([O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:22](=[O:23])[c:24]([C:25](=[O:26])[NH:27][CH2:28][c:29]2[cH:30][cH:31][c:32]([F:33])[cH:34][cH:35]2)[cH:36][n:37]1[CH2:38][CH:39]=O.[CH3:1][CH:2]([CH3:3])[NH:4][CH2:5][CH2:6][C@H:7]([CH3:8])[NH2:9]>CC(=O)O.ClCCl>[CH3:1][CH:2]([CH3:3])[N:4]1[CH2:5][CH2:6][C@H:7]([CH3:8])[N:9]2[C:10](=[O:11])[c:12]3[c:13]([O:14][CH2:15][c:16]4[cH:17][cH:18][cH:19][cH:20][cH:21]4)[c:22](=[O:23])[c:24]([C:25](=[O:26])[NH:27][CH2:28][c:29]4[cH:30][cH:31][c:32]([F:33])[cH:34][cH:35]4)[cH:36][n:37]3[CH2:38][C@@H:39]12 MYQAUDXMRKHRDE-ZETCQYMHSA-N.NBANPWNFLURNRW-UHFFFAOYSA-N>>JCFWINCODRRLEO-CPJSRVTESA-N 0.0 Unrecognized True substrate controlled False [O;H0;D1;+0:2]=[C;H0;D3;+0:1]1-[c;H0;D3;+0:3]:[n;H0;D3;+0:4]-[CH2;D2;+0:5]-[C@H;D3;+0:6]2-[N;H0;D3;+0:11]-[CH2;D2;+0:10]-[CH2;D2;+0:9]-[C@@H;D3;+0:8]-[N;H0;D3;+0:7]-1-2>>C-O-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[c;H0;D3;+0:3]:[n;H0;D3;+0:4]-[CH2;D2;+0:5]-[CH;D2;+0:6]=O.[NH2;D1;+0:7]-[C@H;D3;+0:8]-[CH2;D2;+0:9]-[CH2;D2;+0:10]-[NH;D2;+0:11] fe2015f02e201d2795cc74aa6c0dafe769e7c5bc0a58c2d8149cc89388ffebd4 CO[C:41]([c:40]1[n:15]([CH2:14][CH:13]=O)[cH:16][c:17]([C:18](=[O:19])[NH:20][CH2:21][c:22]2[cH:23][cH:24][c:25]([F:26])[cH:27][cH:28]2)[c:29](=[O:30])[c:31]1[O:32][CH2:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)=[O:42].[CH3:1][CH:2]([CH3:3])[CH2:4][C@@H:5]([CH2:6][CH2:7][NH:8][CH2:9][CH:10]([CH3:11])[CH3:12])[NH2:43]>CC(=O)O.ClCCl>[CH3:1][CH:2]([CH3:3])[CH2:4][C@H:5]1[CH2:6][CH2:7][N:8]([CH2:9][CH:10]([CH3:11])[CH3:12])[C@@H:13]2[CH2:14][n:15]3[cH:16][c:17]([C:18](=[O:19])[NH:20][CH2:21][c:22]4[cH:23][cH:24][c:25]([F:26])[cH:27][cH:28]4)[c:29](=[O:30])[c:31]([O:32][CH2:33][c:34]4[cH:35][cH:36][cH:37][cH:38][cH:39]4)[c:40]3[C:41](=[O:42])[N:43]12 NBANPWNFLURNRW-UHFFFAOYSA-N.NQBUOEGIRMTVDT-LLVKDONJSA-N>>MFEZDKFLZWUJGY-PXJZQJOASA-N 0.0 Unrecognized True substrate controlled False [O;H0;D1;+0:2]=[C;H0;D3;+0:1]1-[c;H0;D3;+0:3]:[n;H0;D3;+0:4]-[CH2;D2;+0:5]-[C@H;D3;+0:6]2-[N;H0;D3;+0:11]-[CH2;D2;+0:10]-[CH2;D2;+0:9]-[C@@H;D3;+0:8]-[N;H0;D3;+0:7]-1-2>>C-O-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[c;H0;D3;+0:3]:[n;H0;D3;+0:4]-[CH2;D2;+0:5]-[CH;D2;+0:6]=O.[NH2;D1;+0:7]-[C@@H;D3;+0:8]-[CH2;D2;+0:9]-[CH2;D2;+0:10]-[NH;D2;+0:11] fe2015f02e201d2795cc74aa6c0dafe769e7c5bc0a58c2d8149cc89388ffebd4 [O:1]=[C:2]1[CH2:3][CH2:4][C@H:5]2[CH2:6][N:7]([CH2:8][c:9]3[cH:10][cH:11][cH:12][cH:13][cH:14]3)[CH2:15][C@@H:16]12>CO.B.[Na+]>[OH:1][C@H:2]1[CH2:3][CH2:4][C@H:5]2[CH2:6][N:7]([CH2:8][c:9]3[cH:10][cH:11][cH:12][cH:13][cH:14]3)[CH2:15][C@@H:16]12 DLTLETIGPVMJIX-QWHCGFSZSA-N>>QVQHJPYWCKXTFP-MJBXVCDLSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C:2](=[O:3])[NH:4][c:5]1[cH:6][cH:7][cH:8][n:9][c:10]1[CH2:11][C:12](=[O:13])[C@@H:14]([CH2:15][c:16]1[c:17]([F:18])[cH:19][cH:20][c:21]([F:22])[cH:23]1)[NH:24][C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31]>CC(=O)OB(OC(C)=O)OC(C)=O.[Li+]>[CH3:1][C:2](=[O:3])[NH:4][c:5]1[cH:6][cH:7][cH:8][n:9][c:10]1[CH2:11][C@H:12]([OH:13])[C@@H:14]([CH2:15][c:16]1[c:17]([F:18])[cH:19][cH:20][c:21]([F:22])[cH:23]1)[NH:24][C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31] OVJZWMOLVVCQJB-LJQANCHMSA-N>>FSGNPCDKZCOVQF-UXHICEINSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 CS(=O)(=O)O[C@@H:17]1[CH2:18][N:19]([C:20](=[O:21])[O:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:30][C@H:31]1[F:32].[CH3:1][O:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][c:8]2[n:9][cH:10][c:11](-[c:12]3[n:13][c:14]4[c:15]([OH:16])[cH:33][cH:34][cH:35][c:36]4[cH:37][cH:38]3)[n:39]2[cH:40][cH:41]1>CC(=O)N(C)C.O=C(O)O.[Cs+].[Cs+]>[CH3:1][O:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][c:8]2[n:9][cH:10][c:11](-[c:12]3[n:13][c:14]4[c:15]([O:16][C@H:17]5[CH2:18][N:19]([C:20](=[O:21])[O:22][CH2:23][c:24]6[cH:25][cH:26][cH:27][cH:28][cH:29]6)[CH2:30][C@H:31]5[F:32])[cH:33][cH:34][cH:35][c:36]4[cH:37][cH:38]3)[n:39]2[cH:40][cH:41]1 MSLOSENVKADKAG-UHFFFAOYSA-N.OWOLFZIIHZNVTB-VXGBXAGGSA-N>>TWZNOLXQSZPWNT-YWEHKCAJSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:8]-[c:7]:[c:6]:[#7;a:5]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[#7;a:5]:[c:6]:[c:7]-[OH;D1;+0:8] 084bec53a4890fe38087b4232dc3f1bec2f9bd01bd85487054c60b2ce3f1955c [CH3:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1[NH:8][C:9](=[O:10])[c:11]1[cH:12][c:13]2[c:14]([cH:15][cH:16]1)[C@:17]1([CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:25][C:26](=[O:28])[C@:29]([OH:30])([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[CH2:37][C@H:38]1[CH2:39][CH2:40]2.[Li][CH3:27]>C1CCOC1.CC#N.O.Cl.N>[CH3:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1[NH:8][C:9](=[O:10])[c:11]1[cH:12][c:13]2[c:14]([cH:15][cH:16]1)[C@:17]1([CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:25][C@@:26]([CH3:27])([OH:28])[C@:29]([OH:30])([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[CH2:37][C@H:38]1[CH2:39][CH2:40]2 DVSDBMFJEQPWNO-UHFFFAOYSA-N.OXDFZRRJCGHVAI-RCFSOVDESA-N>>WKXKOOINQLLZID-QCSZPJFZSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@;H0;D4;+0:3](-[C:4])(-[CH3;D1;+0:1])-[OH;D1;+0:5]>>[CH3;D1;+0:1]-[Li].[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] dd61216dcddc30a8c086dee747ce8d1398f68d6876f54721d9bc794bb1d5084d Br[CH2:5][c:6]1[c:7]([Cl:8])[cH:9][c:10]([O:11][CH3:12])[cH:13][c:14]1[Cl:15].[CH2:1]=[CH:2][CH2:3][CH2:4][C:16](=[O:17])[N:18]1[C:19](=[O:20])[O:21][CH2:22][C@H:23]1[CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>C1CCOC1.CC(C)NC(C)C.CCOCC.O.[Li+]>[CH2:1]=[CH:2][CH2:3][C@@H:4]([CH2:5][c:6]1[c:7]([Cl:8])[cH:9][c:10]([O:11][CH3:12])[cH:13][c:14]1[Cl:15])[C:16](=[O:17])[N:18]1[C:19](=[O:20])[O:21][CH2:22][C@H:23]1[CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1 KBAGYDQLZMGHMT-UHFFFAOYSA-N.VKEZZGBUHSYSJM-CYBMUJFWSA-N>>WIZXZSAEGQQEHS-DLBZAZTESA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[C:7]-[C:8]=[C;D1;H2:9])-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]-[C:4](=[O;D1;H0:5])-[CH2;D2;+0:6]-[C:7]-[C:8]=[C;D1;H2:9] 02edf67ac50d98e145a68d5f9b92bf19c82828cbef69fc2cc6d19aed9ff9d2f8 [N-:1]=[N+:2]=[N:3][CH2:4][C:5](=[O:6])[c:7]1[cH:8][cH:9][c:10]([OH:11])[c:12]2[c:13]1[s:14][c:15](=[O:16])[nH:17]2>B.C1CCOC1.N[C@@H]1c2ccccc2C[C@@H]1O>[N-:1]=[N+:2]=[N:3][CH2:4][C@H:5]([OH:6])[c:7]1[cH:8][cH:9][c:10]([OH:11])[c:12]2[c:13]1[s:14][c:15](=[O:16])[nH:17]2 WAIPKZDWTPJYJR-UHFFFAOYSA-N>>FMVKTTLEYWLPAU-LURJTMIESA-N 0.0 Unrecognized False reagent controlled False [#16;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#16;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 610e51149fb24fc55c3b7d341967cddf460dc8529068ac786a593a0608a512b9 CS(=O)(=O)O[C@H:7]1[CH2:8][CH2:9][N:10]([c:11]2[n:12][c:13]3[c:14]([cH:15][c:16](-[c:17]4[cH:18][cH:19][c:20]([C:21]#[N:22])[cH:23][cH:24]4)[cH:25][cH:26]3)[s:27]2)[CH2:28]1.[CH3:1][C@@H:2]1[CH2:3][CH2:4][CH2:5][NH:6]1>CC#N.CCN(C(C)C)C(C)C>[CH3:1][C@@H:2]1[CH2:3][CH2:4][CH2:5][N:6]1[C@@H:7]1[CH2:8][CH2:9][N:10]([c:11]2[n:12][c:13]3[c:14]([cH:15][c:16](-[c:17]4[cH:18][cH:19][c:20]([C:21]#[N:22])[cH:23][cH:24]4)[cH:25][cH:26]3)[s:27]2)[CH2:28]1 RGHPCLZJAFCTIK-RXMQYKEDSA-N.VHVLAJRUTYPIQF-INIZCTEOSA-N>>YINJAVDYQVRGFG-OXQOHEQNSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@@H;D3;+0:1](-[C:2])-[N;H0;D3;+0:6](-[C:5])-[C:7]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C:5]-[NH;D2;+0:6]-[C:7] 157697b1e38caead426da2bdfa8b8106c309cc654710148bee67cc4f1f517c9a CS(=O)(=O)O[C@@H:8]1[CH2:9][CH2:10][N:11]([c:12]2[n:13][c:14]3[c:15]([cH:16][c:17](-[c:18]4[cH:19][cH:20][c:21]([C:22]#[N:23])[cH:24][cH:25]4)[cH:26][cH:27]3)[s:28]2)[CH2:29]1.[CH3:1][CH:2]1[CH2:3][CH2:4][CH2:5][CH2:6][NH:7]1>CC(C)O.CN(C)C=O>[CH3:1][CH:2]1[CH2:3][CH2:4][CH2:5][CH2:6][N:7]1[C@H:8]1[CH2:9][CH2:10][N:11]([c:12]2[n:13][c:14]3[c:15]([cH:16][c:17](-[c:18]4[cH:19][cH:20][c:21]([C:22]#[N:23])[cH:24][cH:25]4)[cH:26][cH:27]3)[s:28]2)[CH2:29]1 NNWUEBIEOFQMSS-UHFFFAOYSA-N.VHVLAJRUTYPIQF-MRXNPFEDSA-N>>NSDGMXMCQAHZQI-LFABVHOISA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[N;H0;D3;+0:6](-[C:5])-[C:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C:5]-[NH;D2;+0:6]-[C:7] c4cd6cb8c369520c92e638023f8c455506ed6a1095af0acf18679c4e0df172df Br[CH2:9][c:10]1[c:11]([Cl:12])[cH:13][c:14](-[c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[N:21]3[CH2:22][CH2:23][CH:24]([C:25]([F:26])([F:27])[F:28])[CH2:29][CH2:30]3)[cH:31][cH:32]2)[cH:33][c:34]1[Cl:35].[O:1]=[C:2]1[O:3][C@H:4]([CH2:5][OH:6])[CH2:7][CH2:8]1>C1CCOC1.CCCCCCC.CCN(C)C.CCOC(C)=O.C[Si](C)(C)Cl.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[O:1]=[C:2]1[O:3][C@H:4]([CH2:5][OH:6])[CH2:7][C@H:8]1[CH2:9][c:10]1[c:11]([Cl:12])[cH:13][c:14](-[c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[N:21]3[CH2:22][CH2:23][CH:24]([C:25]([F:26])([F:27])[F:28])[CH2:29][CH2:30]3)[cH:31][cH:32]2)[cH:33][c:34]1[Cl:35] KKYOMJKTJXVXSU-UHFFFAOYSA-N.NSISJFFVIMQBRN-BYPYZUCNSA-N>>ILZFWZIGSOCWKA-HKUYNNGSSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>Br-[CH2;D2;+0:1]-[c:2].[C:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 c34de8b187abb041b2c73bdd7e1f00481957a40f634fe1f6b248ef3c8ecce090 [CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][CH2:7][CH2:8][C:9]([CH3:10])=[O:11]>B.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CC(C)O.ClCCl.O=C=O.Cl.N>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][CH2:7][CH2:8][C@@H:9]([CH3:10])[OH:11] MGPSIDGTLFKDEY-UHFFFAOYSA-N>>YUQVKXFPYUHIIF-SSDOTTSWSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[C;D1;H3:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][CH2:10][CH2:11][C@H:12]2[C@H:13]([Cl:14])[CH2:15][C@@H:16]([O:17][CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22][O:23]3)[C@@H:24]2/[CH:25]=[CH:26]/[C:27](=[O:28])[CH2:29][CH2:30][CH2:31][C@H:32]([CH3:33])[O:34][Si:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[CH3:41])[s:42]1>C1CCOC1.CCO.[Al+3].[HH].[HH].[HH].[HH].[Li+]>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][CH2:10][CH2:11][C@H:12]2[C@H:13]([Cl:14])[CH2:15][C@@H:16]([O:17][CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22][O:23]3)[C@@H:24]2/[CH:25]=[CH:26]/[C@@H:27]([OH:28])[CH2:29][CH2:30][CH2:31][C@H:32]([CH3:33])[O:34][Si:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[CH3:41])[s:42]1 LHKRTASKXZCULX-WBBPHZFKSA-N>>JMSYRGOMOGSYDO-CDQLLSSVSA-N 0.0 Unrecognized False substrate controlled False [C:1]/[C:2]=[C:3]/[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[C:1]/[C:2]=[C:3]/[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] aa0c5d364c7b0880336e4d2a527b429971b8f795c3ee991061e4feff1f6058c0 Cl[C@H:13]([CH3:14])[c:15]1[n:16][cH:17][cH:18][c:19]([C:20]#[N:21])[cH:22]1.[CH3:1][CH:2]([CH3:3])[CH2:4][C@H:5]([CH2:6][OH:7])[NH:8][c:9]1[n:10][c:11]([SH:12])[n:23][c:24]2[c:25]1[s:26][c:27]([NH2:28])[n:29]2>>[CH3:1][CH:2]([CH3:3])[CH2:4][C@H:5]([CH2:6][OH:7])[NH:8][c:9]1[n:10][c:11]([S:12][C@@H:13]([CH3:14])[c:15]2[n:16][cH:17][cH:18][c:19]([C:20]#[N:21])[cH:22]2)[n:23][c:24]2[c:25]1[s:26][c:27]([NH2:28])[n:29]2 BWSQYAUQJQKVOO-ZCFIWIBFSA-N.OGRDDYIZJRCWSP-ZCFIWIBFSA-N>>CJTVRBKOUBEDHU-WCQYABFASA-N 0.0 Unrecognized False stereospecific False [#7;a:5]:[c:6](:[#7;a:7])-[S;H0;D2;+0:8]-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3]:[#7;a:4]>>Cl-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3]:[#7;a:4].[#7;a:5]:[c:6](:[#7;a:7])-[SH;D1;+0:8] 815beeef87283f359769d57fe69bfc26e81210042d1b8d02ecc0abb24373ffcb Br[CH2:3]/[CH:4]=[CH:5]/[CH2:6][O:7][CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1.[CH3:1][CH2:2][C:15](=[O:16])[N:17]1[C:18](=[O:19])[O:20][CH2:21][C@@H:22]1[CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>C1CCOC1.CCCCCC.C[Si](C)(C)N[Si](C)(C)C.Cl.N.[Na+]>[CH3:1][C@H:2]([CH2:3]/[CH:4]=[CH:5]/[CH2:6][O:7][CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[C:15](=[O:16])[N:17]1[C:18](=[O:19])[O:20][CH2:21][C@@H:22]1[CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1 REBYQQNHTPNLJS-SNAWJCMRSA-N.WHOBYFHKONUTMW-NSHDSACASA-N>>OZOCQDKVDNQWST-OQBDSEHNSA-N 0.0 Unrecognized False substrate controlled False [#7:7]-[C:8](=[O;D1;H0:9])-[C@H;D3;+0:10](-[C;D1;H3:11])-[CH2;D2;+0:1]/[C:2]=[C:3]/[C:4]-[#8:5]-[C:6]>>Br-[CH2;D2;+0:1]/[C:2]=[C:3]/[C:4]-[#8:5]-[C:6].[#7:7]-[C:8](=[O;D1;H0:9])-[CH2;D2;+0:10]-[C;D1;H3:11] 44c2fd4fec879ef12f0d63b532546c505b3ac7d0eacf9961679d35be7acb7c0c CS(=O)(=O)O[C@@H:5]([C@@H:4]1[CH2:3][C@@H:2]([CH3:1])[C:19](=[O:20])[O:18]1)[CH2:6][O:7][CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1.[N-:15]=[N+:16]=[N-:17]>CN1CCCN(C)C1=O.[Na+]>[CH3:1][C@@H:2]1[CH2:3][C@@H:4]([C@H:5]([CH2:6][O:7][CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[N:15]=[N+:16]=[N-:17])[O:18][C:19]1=[O:20] IVRMZWNICZWHMI-UHFFFAOYSA-N.MMYUMRJDOZPSOP-KWCYVHTRSA-N>>ZJPZZMWJSJKWSK-WXHSDQCUSA-N 0.0 Unrecognized False stereospecific False [N;-;D1;H0:19]=[#7;+:18]=[N;H0;D2;+0:17]-[C@@H;D3;+0:1](-[C:2]-[#8:3]-[C:4]-[c:5]1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1)-[C:11]1-[#8:12]-[C:13](=[O;D1;H0:14])-[C:15]-[C:16]-1>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2]-[#8:3]-[C:4]-[c:5]1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1)-[C:11]1-[#8:12]-[C:13](=[O;D1;H0:14])-[C:15]-[C:16]-1.[N-;H0;D1:17]=[#7;+:18]=[N;-;D1;H0:19] 04d498052cf5991dc9d7b8ab4dc98ec295d203e36dd3a2b6ea61866026635d03 [N-:1]=[N+:2]=[N:3][CH2:4][C:5](=[O:6])[c:7]1[cH:8][cH:9][c:10]([OH:11])[c:12]2[c:13]1[s:14][c:15](=[O:16])[nH:17]2>B.C1CCOC1.N[C@@H]1c2ccccc2C[C@@H]1O>[N-:1]=[N+:2]=[N:3][CH2:4][C@H:5]([OH:6])[c:7]1[cH:8][cH:9][c:10]([OH:11])[c:12]2[c:13]1[s:14][c:15](=[O:16])[nH:17]2 WAIPKZDWTPJYJR-UHFFFAOYSA-N>>FMVKTTLEYWLPAU-LURJTMIESA-N 0.0 Unrecognized False reagent controlled True [#16;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#16;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 81140bf5833526736f9b408e7c6e9600135a22457445673ebc0febc54d5161b4 [CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][CH2:7][CH2:8][C:9]([CH3:10])=[O:11]>B.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CC(C)O.ClCCl.O=C=O.Cl.N>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][CH2:7][CH2:8][C@@H:9]([CH3:10])[OH:11] MGPSIDGTLFKDEY-UHFFFAOYSA-N>>YUQVKXFPYUHIIF-SSDOTTSWSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[C;D1;H3:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 Br[CH2:4]/[CH:5]=[CH:6]/[CH2:7][O:8][CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1.[CH3:1][CH2:2][CH2:3][C:16](=[O:17])[N:18]1[C:19](=[O:20])[O:21][CH2:22][C@@H:23]1[CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>C1CCOC1.CCCCCC.C[Si](C)(C)N[Si](C)(C)C.Cl.N.[Na+]>[CH3:1][CH2:2][C@H:3]([CH2:4]/[CH:5]=[CH:6]/[CH2:7][O:8][CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[C:16](=[O:17])[N:18]1[C:19](=[O:20])[O:21][CH2:22][C@@H:23]1[CH2:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1 HEJIYTVOUUVHRY-LBPRGKRZSA-N.REBYQQNHTPNLJS-SNAWJCMRSA-N>>UXWANJOKYKLGSD-XCRVJHMQSA-N 0.0 Unrecognized False substrate controlled False [#7:7]-[C:8](=[O;D1;H0:9])-[C@H;D3;+0:10](-[C:11])-[CH2;D2;+0:1]/[C:2]=[C:3]/[C:4]-[#8:5]-[C:6]>>Br-[CH2;D2;+0:1]/[C:2]=[C:3]/[C:4]-[#8:5]-[C:6].[#7:7]-[C:8](=[O;D1;H0:9])-[CH2;D2;+0:10]-[C:11] 44c2fd4fec879ef12f0d63b532546c505b3ac7d0eacf9961679d35be7acb7c0c CS(=O)(=O)O[C@@H:6]([C@@H:5]1[CH2:4][C@@H:3]([CH2:2][CH3:1])[C:20](=[O:21])[O:19]1)[CH2:7][O:8][CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1.[N-:16]=[N+:17]=[N-:18]>CN1CCCN(C)C1=O.[Na+]>[CH3:1][CH2:2][C@@H:3]1[CH2:4][C@@H:5]([C@H:6]([CH2:7][O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[N:16]=[N+:17]=[N-:18])[O:19][C:20]1=[O:21] IVRMZWNICZWHMI-UHFFFAOYSA-N.XXGTYKPZTWXWRQ-QLFBSQMISA-N>>BOQMXFAWJCQPOZ-RDBSUJKOSA-N 0.0 Unrecognized False stereospecific False [N;-;D1;H0:19]=[#7;+:18]=[N;H0;D2;+0:17]-[C@@H;D3;+0:1](-[C:2]-[#8:3]-[C:4]-[c:5]1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1)-[C:11]1-[#8:12]-[C:13](=[O;D1;H0:14])-[C:15]-[C:16]-1>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2]-[#8:3]-[C:4]-[c:5]1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1)-[C:11]1-[#8:12]-[C:13](=[O;D1;H0:14])-[C:15]-[C:16]-1.[N-;H0;D1:17]=[#7;+:18]=[N;-;D1;H0:19] 04d498052cf5991dc9d7b8ab4dc98ec295d203e36dd3a2b6ea61866026635d03 Br[CH2:5]/[CH:6]=[CH:7]/[CH2:8][O:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[CH3:1][CH2:2][CH2:3][CH2:4][C:17](=[O:18])[N:19]1[C:20](=[O:21])[O:22][CH2:23][C@@H:24]1[CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>C1CCOC1.CCCCCC.C[Si](C)(C)N[Si](C)(C)C.Cl.N.[Na+]>[CH3:1][CH2:2][CH2:3][C@H:4]([CH2:5]/[CH:6]=[CH:7]/[CH2:8][O:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C:17](=[O:18])[N:19]1[C:20](=[O:21])[O:22][CH2:23][C@@H:24]1[CH2:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1 BQLGXGCFEVCOFV-ZDUSSCGKSA-N.REBYQQNHTPNLJS-SNAWJCMRSA-N>>PEDJZHSDGXMUAR-VEJIKLGOSA-N 0.0 Unrecognized False substrate controlled False [#7:7]-[C:8](=[O;D1;H0:9])-[C@H;D3;+0:10](-[C:11])-[CH2;D2;+0:1]/[C:2]=[C:3]/[C:4]-[#8:5]-[C:6]>>Br-[CH2;D2;+0:1]/[C:2]=[C:3]/[C:4]-[#8:5]-[C:6].[#7:7]-[C:8](=[O;D1;H0:9])-[CH2;D2;+0:10]-[C:11] 44c2fd4fec879ef12f0d63b532546c505b3ac7d0eacf9961679d35be7acb7c0c CS(=O)(=O)O[C@@H:7]([C@@H:6]1[CH2:5][C@@H:4]([CH2:3][CH2:2][CH3:1])[C:21](=[O:22])[O:20]1)[CH2:8][O:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[N-:17]=[N+:18]=[N-:19]>CN1CCCN(C)C1=O.[Na+]>[CH3:1][CH2:2][CH2:3][C@@H:4]1[CH2:5][C@@H:6]([C@H:7]([CH2:8][O:9][CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[N:17]=[N+:18]=[N-:19])[O:20][C:21]1=[O:22] IVRMZWNICZWHMI-UHFFFAOYSA-N.QUVSINHGVUTUQF-OWCLPIDISA-N>>DZXOVEFKEYBBMS-ILXRZTDVSA-N 0.0 Unrecognized False stereospecific False [N;-;D1;H0:19]=[#7;+:18]=[N;H0;D2;+0:17]-[C@@H;D3;+0:1](-[C:2]-[#8:3]-[C:4]-[c:5]1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1)-[C:11]1-[#8:12]-[C:13](=[O;D1;H0:14])-[C:15]-[C:16]-1>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2]-[#8:3]-[C:4]-[c:5]1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1)-[C:11]1-[#8:12]-[C:13](=[O;D1;H0:14])-[C:15]-[C:16]-1.[N-;H0;D1:17]=[#7;+:18]=[N;-;D1;H0:19] 04d498052cf5991dc9d7b8ab4dc98ec295d203e36dd3a2b6ea61866026635d03 I[CH2:9][CH2:10][CH2:11][CH3:12].[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C@@H:6]([OH:7])[CH2:8][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19]>CC(C)NC(C)C.CCOCC.CN(C)P(=O)(N(C)C)N(C)C.Cl.[Li]C.N>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C@@H:6]([OH:7])[C@@H:8]([CH2:9][CH2:10][CH2:11][CH3:12])[C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19] KMGBZBJJOKUPIA-UHFFFAOYSA-N.VKYPCVRHJMFXOT-SNVBAGLBSA-N>>AIYLKBQOVQPQDK-ZIAGYGMSSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@H;D3;+0:4](-[C:3])-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11]>>I-[CH2;D2;+0:1]-[C:2].[C:3]-[CH2;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11] c3becb3873fd98d88e360416c3ff653e0694c5f81fc854d771fd9bf979cc0c3f I[CH2:10][CH2:11][CH2:12][CH2:13][CH3:14].[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C@@H:7]([OH:8])[CH2:9][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21]>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C@@H:7]([OH:8])[C@@H:9]([CH2:10][CH2:11][CH2:12][CH2:13][CH3:14])[C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21] BLXSFCHWMBESKV-UHFFFAOYSA-N.PWODYLBLXXMHBX-LLVKDONJSA-N>>JATBOTPKSBBQJB-HZPDHXFCSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@H;D3;+0:4](-[C:3])-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11]>>I-[CH2;D2;+0:1]-[C:2].[C:3]-[CH2;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11] c3becb3873fd98d88e360416c3ff653e0694c5f81fc854d771fd9bf979cc0c3f I[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16].[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C@@H:8]([OH:9])[CH2:10][C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23]>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C@@H:8]([OH:9])[C@@H:10]([CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])[C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23] ANOOTOPTCJRUPK-UHFFFAOYSA-N.WRUQBBMDEHYWKE-GFCCVEGCSA-N>>DINOKMCTCSFSHJ-QZTJIDSGSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[CH2;D2;+0:1]-[C@H;D3;+0:4](-[C:3])-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11]>>I-[CH2;D2;+0:1]-[C:2].[C:3]-[CH2;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11] c3becb3873fd98d88e360416c3ff653e0694c5f81fc854d771fd9bf979cc0c3f CO[C@@:22]1([c:21]2[cH:20][cH:19][c:17]([Cl:18])[c:16]([CH2:15][c:14]3[cH:13][c:12]4[c:36]([cH:35][cH:34]3)[N:8]([CH2:7][c:6]3[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:38][cH:37]3)[CH2:9][CH2:10][CH2:11]4)[cH:33]2)[O:23][C@H:24]([CH2:25][OH:26])[C@@H:27]([OH:28])[C@H:29]([OH:30])[C@H:31]1[OH:32]>CC#N.CC[SiH](CC)CC.ClCCl.FB(F)F>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]2[CH2:9][CH2:10][CH2:11][c:12]3[cH:13][c:14]([CH2:15][c:16]4[c:17]([Cl:18])[cH:19][cH:20][c:21]([C@@H:22]5[O:23][C@H:24]([CH2:25][OH:26])[C@@H:27]([OH:28])[C@H:29]([OH:30])[C@H:31]5[OH:32])[cH:33]4)[cH:34][cH:35][c:36]32)[cH:37][cH:38]1 OEGRSOIZRVWFLK-SAEUYMBFSA-N>>KQNDZYRBEHYEQA-RLXMVLCYSA-N 0.0 Unrecognized False stereospecific False [C:10]-[C:9]1-[#8:8]-[C@@H;D3;+0:1](-[c:2]2:[c:3]:[c:4]:[c:5]:[c:6]:[c:7]:2)-[C:13]-[C:12]-[C:11]-1>>C-O-[C@@;H0;D4;+0:1]1(-[c:2]2:[c:3]:[c:4]:[c:5]:[c:6]:[c:7]:2)-[#8:8]-[C:9](-[C:10])-[C:11]-[C:12]-[C:13]-1 2a7c42d1cdb79a099c55e2f47340ed7e862f9498141718be08d2b00d58340e48 CO[C@@:26]1([c:25]2[cH:24][c:5]([CH2:6][c:7]3[cH:8][cH:9][c:10]4[c:22]([cH:23]3)[N:14]([CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[CH2:13][CH2:12][CH2:11]4)[c:4]([CH:2]([CH3:1])[CH3:3])[cH:38][cH:37]2)[O:27][C@H:28]([CH2:29][OH:30])[C@@H:31]([OH:32])[C@H:33]([OH:34])[C@H:35]1[OH:36]>CC#N.CC(Cl)Cl.CC[SiH](CC)CC.FB(F)F>[CH3:1][CH:2]([CH3:3])[c:4]1[c:5]([CH2:6][c:7]2[cH:8][cH:9][c:10]3[c:22]([cH:23]2)[N:14]([CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:13][CH2:12][CH2:11]3)[cH:24][c:25]([C@@H:26]2[O:27][C@H:28]([CH2:29][OH:30])[C@@H:31]([OH:32])[C@H:33]([OH:34])[C@H:35]2[OH:36])[cH:37][cH:38]1 HIDSOKLGQJEHSF-AALIFHQRSA-N>>QNNLYRNKHQVOPL-VJLURNNQSA-N 0.0 Unrecognized False stereospecific False [C:10]-[C:9]1-[#8:8]-[C@@H;D3;+0:1](-[c:2]2:[c:3]:[c:4]:[c:5]:[c:6]:[c:7]:2)-[C:13]-[C:12]-[C:11]-1>>C-O-[C@@;H0;D4;+0:1]1(-[c:2]2:[c:3]:[c:4]:[c:5]:[c:6]:[c:7]:2)-[#8:8]-[C:9](-[C:10])-[C:11]-[C:12]-[C:13]-1 2a7c42d1cdb79a099c55e2f47340ed7e862f9498141718be08d2b00d58340e48 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][O:9][c:10]1[cH:11][cH:12][cH:13][c:14]2[c:15]1[CH2:16][CH2:17][CH2:18][C:19]2=[O:20]>CCN(CC)CC.Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1.O.O=CO>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][O:9][c:10]1[cH:11][cH:12][cH:13][c:14]2[c:15]1[CH2:16][CH2:17][CH2:18][C@@H:19]2[OH:20] KILMZQATCJRYNW-UHFFFAOYSA-N>>MAKPERXFYOZKOJ-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c O=P(c1ccccc1)(c1ccccc1)[N:20]=[N+:21]=[N-:22].O[C@@H:19]1[c:14]2[cH:13][cH:12][cH:11][c:10]([O:9][CH2:8][C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[c:15]2[CH2:16][CH2:17][CH2:18]1>C1CCC2=NCCCN2CC1.Cc1ccccc1>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][O:9][c:10]1[cH:11][cH:12][cH:13][c:14]2[c:15]1[CH2:16][CH2:17][CH2:18][C@H:19]2[N:20]=[N+:21]=[N-:22] MAKPERXFYOZKOJ-ZDUSSCGKSA-N.MKRTXPORKIRPDG-UHFFFAOYSA-N>>CQFJDLWTIGEPGG-CYBMUJFWSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].O=P(-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6])(-c1:c:c:c:c:c:1)-c1:c:c:c:c:c:1 ab6024695fd701762ae9e20213f5206f982841807bb21b41ca56b06d668bb63c CS(=O)(=O)O[C@H:6]1[CH2:7][C@@H:8]([C:9](=[O:10])[NH:11][C:12]2([C:13]#[N:14])[CH2:15][CH2:16]2)[N:17]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:25]1.[CH3:1][CH2:2][c:3]1[c:4]([SH:5])[cH:26][cH:27][cH:28][cH:29]1>CS(=O)(=O)O>[CH3:1][CH2:2][c:3]1[c:4]([S:5][C@@H:6]2[CH2:7][C@@H:8]([C:9](=[O:10])[NH:11][C:12]3([C:13]#[N:14])[CH2:15][CH2:16]3)[N:17]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:25]2)[cH:26][cH:27][cH:28][cH:29]1 ABROBCBIIWHVNS-UHFFFAOYSA-N.SPNCLCLCEXSWHE-QWRGUYRKSA-N>>YIKYWPRMTIOLTQ-SJORKVTESA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:5]-[c:6]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[SH;D1;+0:5]-[c:6] e4f05920d26578feecdcd4d882277bd7114d2371d08e876ccc364d9562fd8f49 CC[Zn][CH2:2][CH3:1].[CH:3](=[O:4])[c:5]1[c:6]([Br:7])[cH:8][cH:9][c:10]([F:11])[cH:12]1>CCCCCC.COc1ccccc1[C@H](N[C@@H](C)c1ccccc1)c1c(O)ccc2ccccc12.Cc1ccccc1.Cl>[CH3:1][CH2:2][C@@H:3]([OH:4])[c:5]1[c:6]([Br:7])[cH:8][cH:9][c:10]([F:11])[cH:12]1 CJUCIKJLMFVWIS-UHFFFAOYSA-N.HQWPLXHWEZZGKY-UHFFFAOYSA-N>>ZSEDPBBOVDTJBI-SECBINFHSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:2]-[CH2;D2;+0:1]-[C@@H;D3;+0:4](-[OH;D1;+0:3])-[c:5]>>C-C-[Zn]-[CH2;D2;+0:1]-[C;D1;H3:2].[O;H0;D1;+0:3]=[CH;D2;+0:4]-[c:5] f1324002e119baa082b7ec39d866f9b702faa0502e5ff1185780c296fdad4068 Cl[C@@H:5]([C:3]([O:2][CH3:1])=[O:4])[CH3:6].[OH:7][c:8]1[c:9]2[c:10]([CH3:11])[c:12]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[n:18]4[cH:19][cH:20][cH:21][n:22]4)[cH:23][cH:24]3)[c:25]([CH:26]3[CH2:27][CH2:28]3)[n:29][c:30]2[c:31]([F:32])[cH:33][cH:34]1>CN(C)C=O.O.O=C(O)O.[K+].[K+]>[CH3:1][O:2][C:3](=[O:4])[C@H:5]([CH3:6])[O:7][c:8]1[c:9]2[c:10]([CH3:11])[c:12]([CH2:13][c:14]3[cH:15][cH:16][c:17](-[n:18]4[cH:19][cH:20][cH:21][n:22]4)[cH:23][cH:24]3)[c:25]([CH:26]3[CH2:27][CH2:28]3)[n:29][c:30]2[c:31]([F:32])[cH:33][cH:34]1 JLEJCNOTNLZCHQ-GSVOUGTGSA-N.WZHKOXFRHZVLHB-UHFFFAOYSA-N>>ZFYVIRLKSCRARN-KRWDZBQOSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:6]-[#8:5]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:1](-[C;D1;H3:2])-[O;H0;D2;+0:7]-[c:8]>>Cl-[C@H;D3;+0:1](-[C;D1;H3:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C;D1;H3:6].[OH;D1;+0:7]-[c:8] 02b655405cbd9d648c5c64a0ae35b0cd17dea586203fa4a3ff56fc79328f423f [CH3:1][C:2](=[O:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2/[C:8](=[CH:9]/[Br:10])[CH2:11][CH2:12][CH2:13][C@:14]12[CH3:15]>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.CO.OO.[Li+].[Na+].O>[CH3:1][C@@H:2]([OH:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2/[C:8](=[CH:9]/[Br:10])[CH2:11][CH2:12][CH2:13][C@:14]12[CH3:15] XLWSCKVAZOXTHE-JDDPIIRNSA-N>>XGPCZCDPYMAFGD-LVXRHVAHSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C;D1;H3:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][O:9][c:10]1[cH:11][cH:12][cH:13][c:14]2[c:15]1[CH2:16][CH2:17][CH2:18][C:19]2=[O:20]>CCN(CC)CC.Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1.O.O=CO>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][O:9][c:10]1[cH:11][cH:12][cH:13][c:14]2[c:15]1[CH2:16][CH2:17][CH2:18][C@@H:19]2[OH:20] KILMZQATCJRYNW-UHFFFAOYSA-N>>MAKPERXFYOZKOJ-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 CC[Zn][CH2:2][CH3:1].[CH:3](=[O:4])[c:5]1[c:6]([Br:7])[cH:8][cH:9][c:10]([F:11])[cH:12]1>CCCCCC.COc1ccccc1[C@H](N[C@@H](C)c1ccccc1)c1c(O)ccc2ccccc12.Cc1ccccc1.Cl>[CH3:1][CH2:2][C@@H:3]([OH:4])[c:5]1[c:6]([Br:7])[cH:8][cH:9][c:10]([F:11])[cH:12]1 CJUCIKJLMFVWIS-UHFFFAOYSA-N.HQWPLXHWEZZGKY-UHFFFAOYSA-N>>ZSEDPBBOVDTJBI-SECBINFHSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:2]-[CH2;D2;+0:1]-[C@H;D3;+0:4](-[OH;D1;+0:3])-[c:5]>>C-C-[Zn]-[CH2;D2;+0:1]-[C;D1;H3:2].[O;H0;D1;+0:3]=[CH;D2;+0:4]-[c:5] fd1c6ecf5cbd624bbf7042a0d355da62ceeb3827cf936238fa314cabf5bccbc2 [CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][c:9]1[cH:10][cH:11][c:12]([C@@H:13]2[C@@H:14]([CH2:15][CH2:16][C:17](=[O:18])[c:19]3[cH:20][cH:21][c:22]([F:23])[cH:24][cH:25]3)[C:26](=[O:27])[N:28]2[c:29]2[cH:30][cH:31][c:32]([F:33])[cH:34][cH:35]2)[cH:36][cH:37]1>CO.O.O=S(=O)(O)O.OO>[CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][c:9]1[cH:10][cH:11][c:12]([C@@H:13]2[C@@H:14]([CH2:15][CH2:16][C@H:17]([OH:18])[c:19]3[cH:20][cH:21][c:22]([F:23])[cH:24][cH:25]3)[C:26](=[O:27])[N:28]2[c:29]2[cH:30][cH:31][c:32]([F:33])[cH:34][cH:35]2)[cH:36][cH:37]1 PLXMPHBBPPJODH-IXCJQBJRSA-N>>QOFYWUGCAVMHFJ-OZNIXHKMSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([C:7]([CH3:8])=[O:9])[c:10]1[Br:11]>C1CCOC1.C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)C[C@H]2C[C@@H]1C2(C)C.OCCNCCO>[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([C@@H:7]([CH3:8])[OH:9])[c:10]1[Br:11] KFBAJJMHDBXFIB-UHFFFAOYSA-N>>IFCJKKQCSCWWRU-SSDOTTSWSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 Br[c:3]1[c:2]([F:1])[cH:25][cH:24][cH:23][cH:22]1.[C:4]12=[N:21][O:20][CH2:19][C@@H:18]1[CH2:17][C@H:7]([CH2:8][O:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[O:6][CH2:5]2>C1CCOC1.Cc1ccccc1.Cl.[Li]CCCC.N>[F:1][c:2]1[c:3]([C@:4]23[CH2:5][O:6][C@@H:7]([CH2:8][O:9][CH2:10][c:11]4[cH:12][cH:13][cH:14][cH:15][cH:16]4)[CH2:17][C@H:18]2[CH2:19][O:20][NH:21]3)[cH:22][cH:23][cH:24][cH:25]1 IPWBFGUBXWMIPR-UHFFFAOYSA-N.LXYBKZVFHKHLSR-QWHCGFSZSA-N>>FHVXNYGVZAHLBG-QKLQHJQFSA-N 0.0 Unrecognized False substrate controlled False [#8:4]-[NH;D2;+0:5]-[C@;H0;D4;+0:6](-[C:7])(-[C:8]-[#8:9])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].[#8:4]-[N;H0;D2;+0:5]=[C;H0;D3;+0:6](-[C:7])-[C:8]-[#8:9] 94aff8ccc3794f4bf8b9b6a5279f7ae21e910dfc697ba561a1651c976af2e705 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH2:11][C@@H:12]([C:13](=[O:14])[c:15]2[cH:16][c:17]([Cl:18])[cH:19][cH:20][cH:21]2)[CH2:22]1>C1CCOC1.CCOC(C)=O.Cc1ccccc1>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH2:11][C@@H:12]([C@@H:13]([OH:14])[c:15]2[cH:16][c:17]([Cl:18])[cH:19][cH:20][cH:21]2)[CH2:22]1 BAGDSBRGWXVOOH-CYBMUJFWSA-N>>ADRSZIQSSXPARX-HIFRSBDPSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][c:2]1[c:3]([C:4](=[O:5])[C@@H:6]2[CH2:7][CH2:8][CH2:9][N:10]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:18]2)[cH:19][c:20]([F:21])[cH:22][cH:23]1>C1CCOC1.CCOC(C)=O.CO.Cc1ccccc1>[CH3:1][c:2]1[c:3]([C@H:4]([OH:5])[C@@H:6]2[CH2:7][CH2:8][CH2:9][N:10]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:18]2)[cH:19][c:20]([F:21])[cH:22][cH:23]1 DCGHXHYBTIUMBG-CYBMUJFWSA-N>>DYYGEAHDNIEATF-CZUORRHYSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH2:11][C@@H:12]([C:13](=[O:14])[c:15]2[cH:16][c:17]([Cl:18])[cH:19][c:20]([F:21])[cH:22]2)[CH2:23]1>B.C1CCOC1.Cc1ccccc1>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH2:11][C@@H:12]([C@@H:13]([OH:14])[c:15]2[cH:16][c:17]([Cl:18])[cH:19][c:20]([F:21])[cH:22]2)[CH2:23]1 DEXXGDGQDJAZTP-LLVKDONJSA-N>>DWYDKCNCFMROEI-IAQYHMDHSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][c:2]1[c:3]([C:4](=[O:5])[C@@H:6]2[CH2:7][CH2:8][CH2:9][N:10]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:18]2)[cH:19][c:20]([Cl:21])[cH:22][cH:23]1>C1CCOC1.CSC.Cc1ccccc1>[CH3:1][c:2]1[c:3]([C@H:4]([OH:5])[C@@H:6]2[CH2:7][CH2:8][CH2:9][N:10]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:18]2)[cH:19][c:20]([Cl:21])[cH:22][cH:23]1 UBGHJWCGSUWGBT-CYBMUJFWSA-N>>RNNSZWGIZFUOJA-CZUORRHYSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 Br[CH2:3][CH:2]=[CH2:1].[CH2:4]1[CH2:5][C@@H:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[N:12]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[C:20]1=[O:21]>C1CCOC1.CCCCCC.C[Si](C)(C)N[Si](C)(C)C.C[Si](C)(C)N[Si](C)(C)C.[Li+].[Li]CCCC>[CH2:1]=[CH:2][CH2:3][C@@H:4]1[CH2:5][C@@H:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[N:12]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[C:20]1=[O:21] BHELZAPQIKSEDF-UHFFFAOYSA-N.YWWWGFSJHCFVOW-QMMMGPOBSA-N>>DYXYXMNXNHISKL-MNOVXSKESA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@@H;D3;+0:7](-[C:8])-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3]>>Br-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3].[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 33ab82ef5c99f3e34387d3b6e363f0a79dd4e6af47e65d8e6c0b4cf419209900 Br[CH2:3][CH:2]=[CH2:1].[CH2:4]([CH2:5][CH2:6][CH2:7][Cl:8])[C:9](=[O:10])[N:11]([CH3:12])[C@@H:13]([CH3:14])[C@@H:15]([OH:16])[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1>C1CCOC1.CC(C)NC(C)C.CCOC(C)=O.O.O=C(O)O.Cl.[Li+].[Li]CCCC.[Na+]>[CH2:1]=[CH:2][CH2:3][C@@H:4]([CH2:5][CH2:6][CH2:7][Cl:8])[C:9](=[O:10])[N:11]([CH3:12])[C@@H:13]([CH3:14])[C@@H:15]([OH:16])[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1 BHELZAPQIKSEDF-UHFFFAOYSA-N.HDFXUJKDAQJYCS-SWLSCSKDSA-N>>NDAAHNBRKDLEJI-BHYGNILZSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3]>>Br-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3].[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 42181a6356d577596039c200ae5f750211582bc9cf6ade255d2ea9d2dd6ad309 O[OH:13].[CH3:1][c:2]1[c:3]([N+:4](=[O:5])[O-:6])[cH:7][cH:8][n:9][c:10]1[CH2:11][S:12][c:14]1[n:15][c:16]2[c:17]([cH:18][cH:19][cH:20][cH:21]2)[nH:22]1>C1CCOC1.CC(=O)OC(C)C.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)c1ccccc1.CCN(C(C)C)C(C)C.CC[C@](O)(C(=O)O)[C@](O)(CC)C(=O)O.O.O=S(O)(O)=S.O=S(O)O.[Na+].[Na+].[Na+].[Na+].O.[Ti+4]>[CH3:1][c:2]1[c:3]([N+:4](=[O:5])[O-:6])[cH:7][cH:8][n:9][c:10]1[CH2:11][S@@:12](=[O:13])[c:14]1[n:15][c:16]2[c:17]([cH:18][cH:19][cH:20][cH:21]2)[nH:22]1 HLHGTWPLDSUGJJ-UHFFFAOYSA-N.MHAJPDPJQMAIIY-UHFFFAOYSA-N>>PSPWSLJRXBXEMQ-JOCHJYFZSA-N 0.0 Unrecognized False reagent controlled False [#7;a:2]:[c:3](:[#7;a:4])-[S@@;H0;D3;+0:5](-[C:6])=[O;H0;D1;+0:1]>>O-[OH;D1;+0:1].[#7;a:2]:[c:3](:[#7;a:4])-[S;H0;D2;+0:5]-[C:6] aa18beffd30049606428ab1c7c6658517de35e4a7c80e5d754b5ffe6dee4a822 Br[c:4]1[cH:5][c:6]([CH2:7][c:8]2[cH:9][c:10]3[c:11]([cH:12][cH:13][cH:14][cH:15]3)[s:16]2)[c:17]([F:18])[cH:19][cH:20]1.C[Si](C)(C)[O:24][CH2:23][C@H:22]1[O:21][C:3](=O)[C@H:29]([O:30][Si](C)(C)C)[C@@H:27]([O:28][Si](C)(C)C)[C@@H:25]1[O:26][Si](C)(C)C.[CH3:1][OH:2]>CC(C)OC(C)C.CCCCCC.CCOC(C)=O.Cc1ccccc1.Cl.O.O=C(O)O.[K+].[K+].[Li]CCCC>[CH3:1][O:2][C@@:3]1([c:4]2[cH:5][c:6]([CH2:7][c:8]3[cH:9][c:10]4[c:11]([cH:12][cH:13][cH:14][cH:15]4)[s:16]3)[c:17]([F:18])[cH:19][cH:20]2)[O:21][C@H:22]([CH2:23][OH:24])[C@@H:25]([OH:26])[C@H:27]([OH:28])[C@H:29]1[OH:30] IKGTVOQAJKYBGO-UHFFFAOYSA-N.OKKJLVBELUTLKV-UHFFFAOYSA-N.VNGTZLYNGGLPIZ-WCXIOVBPSA-N>>JBFQHCJIYXXZRZ-VOFPXKNKSA-N 0.0 Unrecognized False substrate controlled False [C;D1;H3:15]-[O;H0;D2;+0:16]-[C@@;H0;D4;+0:8]1(-[c;H0;D3;+0:1](:[c:2]):[c:3])-[#8:7]-[C:6](-[C:5]-[OH;D1;+0:4])-[C:13](-[OH;D1;+0:14])-[C:11](-[OH;D1;+0:12])-[C:9]-1-[OH;D1;+0:10]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].C-[Si](-C)(-C)-[O;H0;D2;+0:4]-[C:5]-[C:6]1-[#8:7]-[C;H0;D3;+0:8](=O)-[C:9](-[O;H0;D2;+0:10]-[Si](-C)(-C)-C)-[C:11](-[O;H0;D2;+0:12]-[Si](-C)(-C)-C)-[C:13]-1-[O;H0;D2;+0:14]-[Si](-C)(-C)-C.[C;D1;H3:15]-[OH;D1;+0:16] ac05ea797ad41533087f2d9c8a06f3e41b0cb785a4c4402dc43b39330b7bcb43 [CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([C:7]([CH3:8])=[O:9])[c:10]1[Br:11]>C1CCOC1.C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)C[C@H]2C[C@@H]1C2(C)C.OCCNCCO>[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]([C@@H:7]([CH3:8])[OH:9])[c:10]1[Br:11] KFBAJJMHDBXFIB-UHFFFAOYSA-N>>IFCJKKQCSCWWRU-SSDOTTSWSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c O[OH:13].[CH3:1][c:2]1[c:3]([N+:4](=[O:5])[O-:6])[cH:7][cH:8][n:9][c:10]1[CH2:11][S:12][c:14]1[n:15][c:16]2[c:17]([cH:18][cH:19][cH:20][cH:21]2)[nH:22]1>C1CCOC1.CC(=O)OC(C)C.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)c1ccccc1.CCN(C(C)C)C(C)C.CC[C@](O)(C(=O)O)[C@](O)(CC)C(=O)O.O.O=S(O)(O)=S.O=S(O)O.[Na+].[Na+].[Na+].[Na+].O.[Ti+4]>[CH3:1][c:2]1[c:3]([N+:4](=[O:5])[O-:6])[cH:7][cH:8][n:9][c:10]1[CH2:11][S@@:12](=[O:13])[c:14]1[n:15][c:16]2[c:17]([cH:18][cH:19][cH:20][cH:21]2)[nH:22]1 HLHGTWPLDSUGJJ-UHFFFAOYSA-N.MHAJPDPJQMAIIY-UHFFFAOYSA-N>>PSPWSLJRXBXEMQ-JOCHJYFZSA-N 0.0 Unrecognized False reagent controlled True [#7;a:2]:[c:3](:[#7;a:4])-[S@;H0;D3;+0:5](-[C:6])=[O;H0;D1;+0:1]>>O-[OH;D1;+0:1].[#7;a:2]:[c:3](:[#7;a:4])-[S;H0;D2;+0:5]-[C:6] 5823de46f4ff6c34944529f5b9e9334c21ead8bda072ef34c8ca1dc94bb2fb05 O=C(O[OH:9])c1cccc(Cl)c1.[CH3:1][C@@:2]1([OH:3])[C@H:4]([CH2:5][OH:6])[CH2:7][CH:8]=[CH:10]1>ClCCl.O=C(O)O.[Na+]>[CH3:1][C@@:2]1([OH:3])[C@H:4]([CH2:5][OH:6])[CH2:7][C@@H:8]2[O:9][C@H:10]12 HMSUKERTBSZPEU-BQBZGAKWSA-N.NHQDETIJWKXCTC-UHFFFAOYSA-N>>NDUHUEUBKNSIIX-ZTYPAOSTSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3]1-[O;H0;D2;+0:1]-[C@H;D3;+0:4]-1-[C:5]>>Cl-c1:c:c:c:c(-C(=O)-O-[OH;D1;+0:1]):c:1.[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5] c347e171e5b6b45a33e6b67f722aa99cc6e0f8560df6c504bf73b47d0d8c6558 [CH3:1][CH:2]([CH3:3])[c:4]1[c:5]([C:6](=[O:7])[c:8]2[cH:9][cH:10][c:11]([O:12][C:13]([F:14])([F:15])[F:16])[cH:17][cH:18]2)[c:19](-[c:20]2[cH:21][cH:22][c:23]([F:24])[cH:25][cH:26]2)[c:27]2[c:28]([cH:29]1)[O:30][C:31]([CH3:32])([CH3:33])[CH2:34][C:35]2=[O:36]>C1CCOC1.CO.N[C@@H]1c2ccccc2C[C@@H]1O>[CH3:1][CH:2]([CH3:3])[c:4]1[c:5]([C:6](=[O:7])[c:8]2[cH:9][cH:10][c:11]([O:12][C:13]([F:14])([F:15])[F:16])[cH:17][cH:18]2)[c:19](-[c:20]2[cH:21][cH:22][c:23]([F:24])[cH:25][cH:26]2)[c:27]2[c:28]([cH:29]1)[O:30][C:31]([CH3:32])([CH3:33])[CH2:34][C@@H:35]2[OH:36] FAAUVDBEAIMRHD-UHFFFAOYSA-N>>BBYNUYFOPFNQBF-NRFANRHFSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C:2]1(-[C;D1;H3:3])-[#8:4]-[c:5]:[c:6]-[C@@H;D3;+0:7](-[OH;D1;+0:8])-[C:9]-1>>[C;D1;H3:1]-[C:2]1(-[C;D1;H3:3])-[#8:4]-[c:5]:[c:6]-[C;H0;D3;+0:7](=[O;H0;D1;+0:8])-[C:9]-1 c57436e477038ece1af5eb6652d120ac718830c7540f44fc1045692fec56ece1 [CH3:1][CH:2]([CH3:3])[c:4]1[c:5]([CH2:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[c:17]([CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[c:23]2[c:24]([cH:25]1)[O:26][C:27]([CH3:28])([CH3:29])[CH2:30][C:31]2=[O:32]>C1CCOC1.CO.N[C@@H]1c2ccccc2C[C@@H]1O>[CH3:1][CH:2]([CH3:3])[c:4]1[c:5]([CH2:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[c:17]([CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[c:23]2[c:24]([cH:25]1)[O:26][C:27]([CH3:28])([CH3:29])[CH2:30][C@@H:31]2[OH:32] NJLVJWKVMPYQHG-UHFFFAOYSA-N>>FSBSIZWVYLWMPD-QFIPXVFZSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C:2]1(-[C;D1;H3:3])-[#8:4]-[c:5]:[c:6]-[C@@H;D3;+0:7](-[OH;D1;+0:8])-[C:9]-1>>[C;D1;H3:1]-[C:2]1(-[C;D1;H3:3])-[#8:4]-[c:5]:[c:6]-[C;H0;D3;+0:7](=[O;H0;D1;+0:8])-[C:9]-1 c57436e477038ece1af5eb6652d120ac718830c7540f44fc1045692fec56ece1 O[C@H:4]1[CH2:5][CH2:6][c:7]2[cH:8][cH:9][c:10]([Br:11])[cH:12][c:13]21.[CH3:1][NH:2][CH3:3]>C1CCOC1.CCN(CC)CC.CS(=O)(=O)Cl>[CH3:1][N:2]([CH3:3])[C@@H:4]1[CH2:5][CH2:6][c:7]2[cH:8][cH:9][c:10]([Br:11])[cH:12][c:13]21 DXVPKKRFBPLRRN-VIFPVBQESA-N.ROSDSFDQCJNGOL-UHFFFAOYSA-N>>LZMGXNQGKNEAQO-LLVKDONJSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[N;H0;D3;+0:5](-[C;D1;H3:4])-[C;D1;H3:6]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[C;D1;H3:4]-[NH;D2;+0:5]-[C;D1;H3:6] 51db501bb86e3bd6427917357f46708996b303f95a489629b8f2b6c92257d268 I[CH3:1].[CH2:2]1[CH2:3][C@H:4]([C:5](=[O:6])[OH:7])[N:8]([CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[C:16]1=[O:17]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.Cl.[Li+]>[CH3:1][C@H:2]1[CH2:3][C@H:4]([C:5](=[O:6])[OH:7])[N:8]([CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[C:16]1=[O:17] INQOMBQAUSQDDS-UHFFFAOYSA-N.MOHLVDJRXGVGOM-SNVBAGLBSA-N>>LERVEGRQNMGLOH-GXSJLCMTSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[C:6])-[CH3;D1;+0:1]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[C:6] 1abceb940cba10f04869aeff5bb4b0519820a1810b071eb0c21b4cc2df4255c1 I[CH2:14][CH2:15][CH:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[C:23]([F:24])([F:25])[F:26].[CH3:1][O:2][C:3]1=[N:4][C@H:5]([CH:6]([CH3:7])[CH3:8])[C:9]([O:10][CH3:11])=[N:12][CH2:13]1>C1CCOC1.Cl.[Li]C(C)(C)C.N>[CH3:1][O:2][C:3]1=[N:4][C@H:5]([CH:6]([CH3:7])[CH3:8])[C:9]([O:10][CH3:11])=[N:12][C@H:13]1[CH2:14][CH2:15][CH:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[C:23]([F:24])([F:25])[F:26] CBWDSYMHCNXXLX-UHFFFAOYSA-N.FCFWEOGTZZPCTO-MRVPVSSYSA-N>>MHFWVOPAWOATKF-MERJSTESSA-N 0.0 Unrecognized False substrate controlled False [#7:3]=[C:4]-[C@@H;D3;+0:5](-[#7:6]=[C:7])-[CH2;D2;+0:1]-[C:2]>>I-[CH2;D2;+0:1]-[C:2].[#7:3]=[C:4]-[CH2;D2;+0:5]-[#7:6]=[C:7] f772ab2b2472b265f28f8e53a7eb9edf17975d1adebadc0177f17e8dbaaa2e59 Br[Mg][CH3:1].[CH:2](=[O:3])[CH2:4][C@H:5]1[CH2:6][O:7][C:8]([CH3:9])([CH3:10])[N:11]1[C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18]>CCOCC>[CH3:1][C@@H:2]([OH:3])[CH2:4][C@H:5]1[CH2:6][O:7][C:8]([CH3:9])([CH3:10])[N:11]1[C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18] AVFUHBJCUUTGCD-UHFFFAOYSA-M.GAWRNYMYEGSVFV-VIFPVBQESA-N>>GQPCIHHXCPLSPH-ZJUUUORDSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:3](-[CH3;D1;+0:1])-[OH;D1;+0:4]>>Br-[Mg]-[CH3;D1;+0:1].[C:2]-[CH;D2;+0:3]=[O;H0;D1;+0:4] 99aac8a0630883d0a1a9bce0d5fae7f6a9e888d034cce99712544a53187b1371 CC(C)c1cc(C(C)C)c(S(=O)(=O)[N:15]=[N+:16]=[N-:17])c(C(C)C)c1.[CH3:1][c:2]1[c:3]([F:4])[cH:5][cH:6][c:7]([CH2:8][O:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][C:18](=[O:19])[N:20]2[C:21](=[O:22])[O:23][CH2:24][C@H:25]2[CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33]1>C1CCOC1.CC(=O)O.C[Si](C)(C)N[Si](C)(C)C.O.Cl.[K+].[Na+]>[CH3:1][c:2]1[c:3]([F:4])[cH:5][cH:6][c:7]([CH2:8][O:9][CH2:10][CH2:11][CH2:12][CH2:13][C@@H:14]([N:15]=[N+:16]=[N-:17])[C:18](=[O:19])[N:20]2[C:21](=[O:22])[O:23][CH2:24][C@H:25]2[CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33]1 AEMWUHCKKDPRSK-UHFFFAOYSA-N.AUDKYAQCSDAPAC-OAQYLSRUSA-N>>JPOJDSXMKJHLLJ-IFMALSPDSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@@H;D3;+0:7](-[C:8])-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]>>C-C(-C)-c1:c:c(-C(-C)-C):c(-S(=O)(=O)-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]):c(-C(-C)-C):c:1.[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 4c0f6ca368fbf857164c4fb998a90b6e130520568e25b67502e84f69dc9edcb6 [CH3:1][C@:2]12[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][CH:10]4[CH2:11][C:12](=[O:13])[CH2:14][CH2:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C:21]2=[O:22]>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.CCOC(C)=O.[K+]>[CH3:1][C@:2]12[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][CH:10]4[CH2:11][C@@H:12]([OH:13])[CH2:14][CH2:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C:21]2=[O:22] VRHVOUYZPKSINF-SQNUJECASA-N>>IUNYGQONJQTULL-GWDJLUFPSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][CH:2]([CH3:3])[c:4]1[c:5]([C:6](=[O:7])[c:8]2[cH:9][cH:10][c:11]([O:12][C:13]([F:14])([F:15])[F:16])[cH:17][cH:18]2)[c:19](-[c:20]2[cH:21][cH:22][c:23]([F:24])[cH:25][cH:26]2)[c:27]2[c:28]([cH:29]1)[O:30][C:31]([CH3:32])([CH3:33])[CH2:34][C:35]2=[O:36]>C1CCOC1.CO.N[C@@H]1c2ccccc2C[C@@H]1O>[CH3:1][CH:2]([CH3:3])[c:4]1[c:5]([C:6](=[O:7])[c:8]2[cH:9][cH:10][c:11]([O:12][C:13]([F:14])([F:15])[F:16])[cH:17][cH:18]2)[c:19](-[c:20]2[cH:21][cH:22][c:23]([F:24])[cH:25][cH:26]2)[c:27]2[c:28]([cH:29]1)[O:30][C:31]([CH3:32])([CH3:33])[CH2:34][C@@H:35]2[OH:36] FAAUVDBEAIMRHD-UHFFFAOYSA-N>>BBYNUYFOPFNQBF-NRFANRHFSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C:2]1(-[C;D1;H3:3])-[#8:4]-[c:5]:[c:6]-[C@H;D3;+0:7](-[OH;D1;+0:8])-[C:9]-1>>[C;D1;H3:1]-[C:2]1(-[C;D1;H3:3])-[#8:4]-[c:5]:[c:6]-[C;H0;D3;+0:7](=[O;H0;D1;+0:8])-[C:9]-1 df9e0b98058cf70d625d318d01fa954f1e694c1f000d36343e5c355e50cc3874 [CH3:1][CH:2]([CH3:3])[c:4]1[c:5]([CH2:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[c:17]([CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[c:23]2[c:24]([cH:25]1)[O:26][C:27]([CH3:28])([CH3:29])[CH2:30][C:31]2=[O:32]>C1CCOC1.CO.N[C@@H]1c2ccccc2C[C@@H]1O>[CH3:1][CH:2]([CH3:3])[c:4]1[c:5]([CH2:6][c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]2)[c:17]([CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[c:23]2[c:24]([cH:25]1)[O:26][C:27]([CH3:28])([CH3:29])[CH2:30][C@@H:31]2[OH:32] NJLVJWKVMPYQHG-UHFFFAOYSA-N>>FSBSIZWVYLWMPD-QFIPXVFZSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C:2]1(-[C;D1;H3:3])-[#8:4]-[c:5]:[c:6]-[C@H;D3;+0:7](-[OH;D1;+0:8])-[C:9]-1>>[C;D1;H3:1]-[C:2]1(-[C;D1;H3:3])-[#8:4]-[c:5]:[c:6]-[C;H0;D3;+0:7](=[O;H0;D1;+0:8])-[C:9]-1 df9e0b98058cf70d625d318d01fa954f1e694c1f000d36343e5c355e50cc3874 O[C@H:8]1[CH2:7][CH2:6][C@@H:5]([C:2]([CH3:1])([CH3:3])[CH3:4])[CH2:32][CH2:31]1.[OH:9][c:10]1[cH:11][cH:12][c:13]2[cH:14][c:15]([C@:16]3([CH3:17])[CH2:18][O:19][C:20](=[O:21])[NH:22]3)[cH:23][cH:24][c:25]2[c:26]1[C:27]([F:28])([F:29])[F:30]>C1CCOC1.CC(C)OC(=O)N=NC(=O)OC(C)C.ClCCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][C:2]([CH3:3])([CH3:4])[C@H:5]1[CH2:6][CH2:7][C@H:8]([O:9][c:10]2[cH:11][cH:12][c:13]3[cH:14][c:15]([C@:16]4([CH3:17])[CH2:18][O:19][C:20](=[O:21])[NH:22]4)[cH:23][cH:24][c:25]3[c:26]2[C:27]([F:28])([F:29])[F:30])[CH2:31][CH2:32]1 CCOQPGVQAWPUPE-DTORHVGOSA-N.MBQJEZPWYXMRSP-AWEZNQCLSA-N>>JDMHOGXTOKRXNB-KEWLPNKHSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[C:3].[OH;D1;+0:4]-[c:5] 215ef75a5d4d29f822381b6a3a84fb2630a5ecc01b2c1b094de19262a4445dad CS(=O)(=O)O[C@H:8]1[CH2:7][CH2:6][C@@H:5]([C:2]([CH3:1])([F:3])[F:4])[CH2:28][CH2:27]1.[OH:9][c:10]1[cH:11][cH:12][c:13]2[cH:14][c:15]([C@:16]3([CH3:17])[CH2:18][O:19][C:20](=[O:21])[NH:22]3)[cH:23][cH:24][c:25]2[cH:26]1>CC(C)(C)O.CCC(C)=O.O.O=C(O)O.[Cs+].[Cs+]>[CH3:1][C:2]([F:3])([F:4])[C@H:5]1[CH2:6][CH2:7][C@H:8]([O:9][c:10]2[cH:11][cH:12][c:13]3[cH:14][c:15]([C@:16]4([CH3:17])[CH2:18][O:19][C:20](=[O:21])[NH:22]4)[cH:23][cH:24][c:25]3[cH:26]2)[CH2:27][CH2:28]1 OUNBOXDAFOPOSC-AWEZNQCLSA-N.ZMPHMDNVWULKGR-OCAPTIKFSA-N>>PANPUBAZYJUABD-MDKPJZGXSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C:3])-[O;H0;D2;+0:4]-[c:5]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3].[OH;D1;+0:4]-[c:5] 292d15ae9da813c7c8cd4a4bfe3d5f016c1690852b473fcdf8122e6b1d28b6dc Cl[C@@H:5]([C:3]([O:2][CH3:1])=[O:4])[CH3:6].[OH:7][c:8]1[cH:9][c:10]([CH2:11][CH2:12][CH2:13][OH:14])[c:15]([F:16])[cH:17][cH:18]1>CCOC(C)=O.CS(C)=O.O=C(O)O.[Cs+].[Cs+]>[CH3:1][O:2][C:3](=[O:4])[C@H:5]([CH3:6])[O:7][c:8]1[cH:9][c:10]([CH2:11][CH2:12][CH2:13][OH:14])[c:15]([F:16])[cH:17][cH:18]1 CADJGBMPJYKZPP-UHFFFAOYSA-N.JLEJCNOTNLZCHQ-GSVOUGTGSA-N>>WTBOVVNFWJGCQE-VIFPVBQESA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:6]-[#8:5]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:1](-[C;D1;H3:2])-[O;H0;D2;+0:7]-[c:8]>>Cl-[C@H;D3;+0:1](-[C;D1;H3:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C;D1;H3:6].[OH;D1;+0:7]-[c:8] 02b655405cbd9d648c5c64a0ae35b0cd17dea586203fa4a3ff56fc79328f423f Br[Mg][CH3:1].[CH:2](=[O:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]([NH:8][C:9](=[O:10])[c:11]2[c:12]([Cl:13])[cH:14][cH:15][c:16]([C:17]([F:18])([F:19])[F:20])[cH:21]2)[CH2:22][CH2:23]1>C1CCOC1>[CH3:1][C@H:2]([OH:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]([NH:8][C:9](=[O:10])[c:11]2[c:12]([Cl:13])[cH:14][cH:15][c:16]([C:17]([F:18])([F:19])[F:20])[cH:21]2)[CH2:22][CH2:23]1 AVFUHBJCUUTGCD-UHFFFAOYSA-M.WDHVUDWNQPMNEO-HOMQSWHASA-N>>JUOYLWDMMWOEAJ-NHCYSSNCSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3](-[CH3;D1;+0:1])-[OH;D1;+0:4]>>Br-[Mg]-[CH3;D1;+0:1].[C:2]-[CH;D2;+0:3]=[O;H0;D1;+0:4] 23ef438432ca637c5b994f16b25a0c8a7bc78da756ca4ad4997985a1b2060894 O[C@@H:8]([CH3:9])[c:10]1[c:11]([Br:12])[cH:13][cH:14][cH:15][cH:16]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([OH:7])[cH:17][c:18](-[n:19]2[cH:20][n:21][c:22]3[c:23]2[cH:24][c:25]([CH2:26][O:27][Si:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[CH3:34])[n:35][cH:36]3)[s:37]1>CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)C.ClCCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([O:7][C@H:8]([CH3:9])[c:10]2[c:11]([Br:12])[cH:13][cH:14][cH:15][cH:16]2)[cH:17][c:18](-[n:19]2[cH:20][n:21][c:22]3[c:23]2[cH:24][c:25]([CH2:26][O:27][Si:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[CH3:34])[n:35][cH:36]3)[s:37]1 DZLZSFZSPIUINR-LURJTMIESA-N.QRQWOZXPJJATFE-UHFFFAOYSA-N>>XKZSWYHWFJYLCF-QGZVFWFLSA-N 0.0 Unrecognized False stereospecific False [#16;a:4]:[c:5]:[c:6]-[O;H0;D2;+0:7]-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3].[#16;a:4]:[c:5]:[c:6]-[OH;D1;+0:7] 90e2a5813f01d6cebccc282d34f6619c4b068baf7cca999a0ef1939b2ba1069f O[C@@H:8]([CH3:9])[c:10]1[c:11]([Cl:12])[cH:13][cH:14][cH:15][cH:16]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([OH:7])[cH:17][c:18](-[n:19]2[cH:20][n:21][c:22]3[c:23]2[cH:24][c:25]([CH2:26][O:27][Si:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[CH3:34])[n:35][cH:36]3)[s:37]1>CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)C.ClCCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([O:7][C@H:8]([CH3:9])[c:10]2[c:11]([Cl:12])[cH:13][cH:14][cH:15][cH:16]2)[cH:17][c:18](-[n:19]2[cH:20][n:21][c:22]3[c:23]2[cH:24][c:25]([CH2:26][O:27][Si:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[CH3:34])[n:35][cH:36]3)[s:37]1 DDUBOVLGCYUYFX-LURJTMIESA-N.QRQWOZXPJJATFE-UHFFFAOYSA-N>>JUINAGHURRJFRN-QGZVFWFLSA-N 0.0 Unrecognized False stereospecific False [#16;a:4]:[c:5]:[c:6]-[O;H0;D2;+0:7]-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3].[#16;a:4]:[c:5]:[c:6]-[OH;D1;+0:7] 90e2a5813f01d6cebccc282d34f6619c4b068baf7cca999a0ef1939b2ba1069f O[C@@H:8]([CH3:9])[c:10]1[c:11]([F:12])[cH:13][cH:14][cH:15][cH:16]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([OH:7])[cH:17][c:18](-[n:19]2[cH:20][n:21][c:22]3[c:23]2[cH:24][c:25]([CH2:26][O:27][Si:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[CH3:34])[n:35][cH:36]3)[s:37]1>CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)C.ClCCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([O:7][C@H:8]([CH3:9])[c:10]2[c:11]([F:12])[cH:13][cH:14][cH:15][cH:16]2)[cH:17][c:18](-[n:19]2[cH:20][n:21][c:22]3[c:23]2[cH:24][c:25]([CH2:26][O:27][Si:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[CH3:34])[n:35][cH:36]3)[s:37]1 QRQWOZXPJJATFE-UHFFFAOYSA-N.SXFYVXSOEBCFLV-LURJTMIESA-N>>NMBKDNMGNYWGER-QGZVFWFLSA-N 0.0 Unrecognized False stereospecific False [#16;a:4]:[c:5]:[c:6]-[O;H0;D2;+0:7]-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3].[#16;a:4]:[c:5]:[c:6]-[OH;D1;+0:7] 90e2a5813f01d6cebccc282d34f6619c4b068baf7cca999a0ef1939b2ba1069f CS(=O)(=O)O[C@@H:4]1[CH2:5][CH2:6][CH2:7][C@H:8]1[O:9][c:10]1[cH:11][cH:12][c:13]([Br:14])[cH:15][cH:16]1.[N-:1]=[N+:2]=[N-:3]>CN(C)C=O.[Na+]>[N-:1]=[N+:2]=[N:3][C@H:4]1[CH2:5][CH2:6][CH2:7][C@H:8]1[O:9][c:10]1[cH:11][cH:12][c:13]([Br:14])[cH:15][cH:16]1 IVRMZWNICZWHMI-UHFFFAOYSA-N.QYGADNVIGINMSR-VXGBXAGGSA-N>>SRLHELQMFXOCPQ-WDEREUQCSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 492c430f48d637aab0c971721cb4d8366eed9f75b9bf7a9ee5b238cfd7eb0d61 CS(=O)(=O)O[C@@H:4]1[CH2:5][CH2:6][CH2:7][CH2:8][C@H:9]1[O:10][c:11]1[cH:12][cH:13][c:14]([Br:15])[cH:16][cH:17]1.[N-:1]=[N+:2]=[N-:3]>CN(C)C=O.O.[Na+]>[N-:1]=[N+:2]=[N:3][C@H:4]1[CH2:5][CH2:6][CH2:7][CH2:8][C@H:9]1[O:10][c:11]1[cH:12][cH:13][c:14]([Br:15])[cH:16][cH:17]1 IVRMZWNICZWHMI-UHFFFAOYSA-N.QVZUHBMBJLJZOD-CHWSQXEVSA-N>>XMJCJSAJOAMACF-NWDGAFQWSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 492c430f48d637aab0c971721cb4d8366eed9f75b9bf7a9ee5b238cfd7eb0d61 Br[c:14]1[cH:13][cH:12][c:10]([Cl:11])[c:9]([CH2:8][c:7]2[cH:6][cH:5][c:4]([O:3][CH2:2][CH3:1])[cH:30][cH:29]2)[cH:28]1.C[Si](C)(C)[O:21][CH2:20][C@H:19]1[O:18][C:15](=[O:16])[C@H:26]([O:27][Si](C)(C)C)[C@@H:24]([O:25][Si](C)(C)C)[C@@H:22]1[O:23][Si](C)(C)C.O[CH3:17]>C1CCOC1.Cc1ccccc1.Cc1ccccc1.Cl.O=C(O)O.[Li]CCCC.[Na+]>[CH3:1][CH2:2][O:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][c:9]2[c:10]([Cl:11])[cH:12][cH:13][c:14]([C@:15]3([O:16][CH3:17])[O:18][C@H:19]([CH2:20][OH:21])[C@@H:22]([OH:23])[C@H:24]([OH:25])[C@H:26]3[OH:27])[cH:28]2)[cH:29][cH:30]1 OKKJLVBELUTLKV-UHFFFAOYSA-N.VNGTZLYNGGLPIZ-WCXIOVBPSA-N.ZUNCHZBITMUSRD-UHFFFAOYSA-N>>GKTWLVVOULBRDU-BDHVOXNPSA-N 0.0 Unrecognized False substrate controlled False [CH3;D1;+0:16]-[O;H0;D2;+0:9]-[C@@;H0;D4;+0:8]1(-[c;H0;D3;+0:1](:[c:2]):[c:3])-[#8:7]-[C:6](-[C:5]-[OH;D1;+0:4])-[C:14](-[OH;D1;+0:15])-[C:12](-[OH;D1;+0:13])-[C:10]-1-[OH;D1;+0:11]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].C-[Si](-C)(-C)-[O;H0;D2;+0:4]-[C:5]-[C:6]1-[#8:7]-[C;H0;D3;+0:8](=[O;H0;D1;+0:9])-[C:10](-[O;H0;D2;+0:11]-[Si](-C)(-C)-C)-[C:12](-[O;H0;D2;+0:13]-[Si](-C)(-C)-C)-[C:14]-1-[O;H0;D2;+0:15]-[Si](-C)(-C)-C.O-[CH3;D1;+0:16] ac05ea797ad41533087f2d9c8a06f3e41b0cb785a4c4402dc43b39330b7bcb43 Br[c:13]1[cH:12][cH:11][c:9]([Cl:10])[c:8]([CH2:7][c:6]2[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:29][cH:28]2)[cH:27]1.C[Si](C)(C)[O:20][CH2:19][C@H:18]1[O:17][C:14](=[O:15])[C@H:25]([O:26][Si](C)(C)C)[C@@H:23]([O:24][Si](C)(C)C)[C@@H:21]1[O:22][Si](C)(C)C.O[CH3:16]>C1CCOC1.Cc1ccccc1.Cc1ccccc1.Cl.O=C(O)O.[Li]CCCC.[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][c:8]2[c:9]([Cl:10])[cH:11][cH:12][c:13]([C@:14]3([O:15][CH3:16])[O:17][C@H:18]([CH2:19][OH:20])[C@@H:21]([OH:22])[C@H:23]([OH:24])[C@H:25]3[OH:26])[cH:27]2)[cH:28][cH:29]1 OKKJLVBELUTLKV-UHFFFAOYSA-N.QBMACPLNLMUFGJ-UHFFFAOYSA-N.VNGTZLYNGGLPIZ-WCXIOVBPSA-N>>DYLGLEOBMXYXGT-ADAARDCZSA-N 0.0 Unrecognized False substrate controlled False [CH3;D1;+0:16]-[O;H0;D2;+0:9]-[C@@;H0;D4;+0:8]1(-[c;H0;D3;+0:1](:[c:2]):[c:3])-[#8:7]-[C:6](-[C:5]-[OH;D1;+0:4])-[C:14](-[OH;D1;+0:15])-[C:12](-[OH;D1;+0:13])-[C:10]-1-[OH;D1;+0:11]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].C-[Si](-C)(-C)-[O;H0;D2;+0:4]-[C:5]-[C:6]1-[#8:7]-[C;H0;D3;+0:8](=[O;H0;D1;+0:9])-[C:10](-[O;H0;D2;+0:11]-[Si](-C)(-C)-C)-[C:12](-[O;H0;D2;+0:13]-[Si](-C)(-C)-C)-[C:14]-1-[O;H0;D2;+0:15]-[Si](-C)(-C)-C.O-[CH3;D1;+0:16] ac05ea797ad41533087f2d9c8a06f3e41b0cb785a4c4402dc43b39330b7bcb43 O=[C:8]1[C@H:3]([O:2][CH3:1])[CH2:4][O:5][CH2:6][CH2:7]1.[NH2:9][C@@H:10]1[CH2:11][CH2:12][C@:13]([CH2:14][CH:15]([F:16])[F:17])([C:18](=[O:19])[N:20]2[CH2:21][C@@H:22]3[CH2:23][C@H:24]2[CH2:25][N:26]3[C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:34]1>CC(=O)OB(OC(C)=O)OC(C)=O.ClCCl.O.[Na+].[Na+].O>[CH3:1][O:2][C@@H:3]1[CH2:4][O:5][CH2:6][CH2:7][C@@H:8]1[NH:9][C@@H:10]1[CH2:11][CH2:12][C@:13]([CH2:14][CH:15]([F:16])[F:17])([C:18](=[O:19])[N:20]2[CH2:21][C@@H:22]3[CH2:23][C@H:24]2[CH2:25][N:26]3[C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:34]1 YMJJPBWCARDMCG-ZCFIWIBFSA-N.ZTNWVEGXUODIMN-OXRQTFEDSA-N>>OEIGBRLSDUCGFD-QCRNSWDBSA-N 0.0 Unrecognized False substrate controlled False [C:4]-[NH;D2;+0:5]-[C@H;D3;+0:1](-[C:2])-[C:3]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[C:4]-[NH2;D1;+0:5] c2454aeb328665781ecf13b70416538e76f18f1493bca8d1b83cab39de9515bc Br[CH2:3][c:4]1[cH:5][cH:6][c:7]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:16][cH:17]1.[CH3:1][CH2:2][C:18](=[O:19])[N:20]1[C:21](=[O:22])[O:23][CH2:24][C@H:25]1[CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.O=C1NCCO1.[Na+]>[CH3:1][C@H:2]([CH2:3][c:4]1[cH:5][cH:6][c:7]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:16][cH:17]1)[C:18](=[O:19])[N:20]1[C:21](=[O:22])[O:23][CH2:24][C@H:25]1[CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1 KHZAFUOYPXXJKO-UHFFFAOYSA-N.WHOBYFHKONUTMW-LLVKDONJSA-N>>PGTJKEKVNYUZSY-HYBUGGRVSA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4](=[O;D1;H0:5])-[C@H;D3;+0:6](-[C;D1;H3:7])-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]-[C:4](=[O;D1;H0:5])-[CH2;D2;+0:6]-[C;D1;H3:7] f717a6f7d6abee5c7b03fb4673a3b91b5ec7e0735b8ea8d36594621e43988384 [CH3:1][CH:2]([CH3:3])[Si:4]([O:5][C@@H:6]1[CH2:7][CH2:8][C@@H:9]([c:10]2[cH:11][c:12]([F:13])[cH:14][c:15]([F:16])[cH:17]2)[C:18](=[O:19])[c:20]2[cH:21][cH:22][cH:23][n:24][c:25]21)([CH:26]([CH3:27])[CH3:28])[CH:29]([CH3:30])[CH3:31]>COC1CCCC1.B.[Li+]>[CH3:1][CH:2]([CH3:3])[Si:4]([O:5][C@@H:6]1[CH2:7][CH2:8][C@@H:9]([c:10]2[cH:11][c:12]([F:13])[cH:14][c:15]([F:16])[cH:17]2)[C@H:18]([OH:19])[c:20]2[cH:21][cH:22][cH:23][n:24][c:25]21)([CH:26]([CH3:27])[CH3:28])[CH:29]([CH3:30])[CH3:31] VIYWGHWQLFZORP-JTHBVZDNSA-N>>NOVYSPHZAHUNFW-PWWKTKHKSA-N 0.0 Unrecognized False substrate controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 8195ad48987c12d459870b75bedef46a37480b4c6c44771b180631aa2774a53a [CH3:1][C:2](=[O:3])[C@@H:4]1[CH2:5][CH2:6][N:7]([CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:15][C@H:16]1[c:17]1[cH:18][cH:19][c:20]([Cl:21])[cH:22][cH:23]1>CC(O)C1CCN(Cc2ccccc2)CC1c1ccc(Cl)cc1.[Al+3].[HH].[HH].[HH].[HH].[Li+]>[CH3:1][C@@H:2]([OH:3])[C@@H:4]1[CH2:5][CH2:6][N:7]([CH2:8][c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[CH2:15][C@H:16]1[c:17]1[cH:18][cH:19][c:20]([Cl:21])[cH:22][cH:23]1 MMHVDHACIOGVDT-PMACEKPBSA-N>>IMBCHCDNWZNTOF-XPGWFJOJSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C;D1;H3:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][CH2:2][C:3](=[O:4])[N:5]1[C:6](=[O:7])[O:8][CH2:9][C@H:10]1[CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1.[CH:18](=[O:19])[C@H:20]1[CH2:21][O:22][C:23]([CH3:24])([CH3:25])[N:26]1[C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33]>CCN(C(C)C)C(C)C.ClCCl.Cl[Ti](Cl)(Cl)Cl>[CH3:1][C@@H:2]([C:3](=[O:4])[N:5]1[C:6](=[O:7])[O:8][CH2:9][C@H:10]1[CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[C@@H:18]([OH:19])[C@H:20]1[CH2:21][O:22][C:23]([CH3:24])([CH3:25])[N:26]1[C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33] PNJXYVJNOCLJLJ-QMMMGPOBSA-N.WHOBYFHKONUTMW-LLVKDONJSA-N>>RGPYUIIWKQJGPS-NXWXRZEISA-N 0.0 Unrecognized False substrate controlled False [#7:6]-[C:7]-[C@H;D3;+0:8](-[OH;D1;+0:9])-[C@@H;D3;+0:4](-[C;D1;H3:5])-[C:2](-[#7:1])=[O;D1;H0:3]>>[#7:1]-[C:2](=[O;D1;H0:3])-[CH2;D2;+0:4]-[C;D1;H3:5].[#7:6]-[C:7]-[CH;D2;+0:8]=[O;H0;D1;+0:9] 914d12ba24dca4595ca77f8c2b05bb8d212a2e2a634ca32d9948ca7340ab5e93 O=C(O)[C@H:7]1[CH2:6][C@@H:5]([C:3]([O:2][CH3:1])=[O:4])[CH2:18][N:10]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:9]1.[N-]=[N+]=[N:8]P(=O)(c1ccccc1)c1ccccc1>CCN(CC)CC.Cc1ccccc1.OCc1ccccc1>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]1[CH2:6][C@H:7]([NH2:8])[CH2:9][N:10]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:18]1 DYLHJFCOKNLATM-DTWKUNHWSA-N.MKRTXPORKIRPDG-UHFFFAOYSA-N>>BEOGYMDIRWHZBM-BDAKNGLRSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[NH2;D1;+0:5]>>O-C(=O)-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].O=P(-[N;H0;D2;+0:5]=[N+]=[N-])(-c1:c:c:c:c:c:1)-c1:c:c:c:c:c:1 11a2f26fc0cafb5e8dcde0c3fb722477ac755240c9ffc84bb2db51212ab6ebc0 Cc1ccc(S(=O)(=O)O[C@H:11]2[CH2:12][CH2:13][O:14][CH2:15]2)cc1.[CH3:1][C:2]1([CH3:3])[O:4][B:5]([c:6]2[cH:7][cH:8][c:9]([OH:10])[cH:16][cH:17]2)[O:18][C:19]1([CH3:20])[CH3:21]>CCOC(C)=O.CN(C)C=O.O=C(O)O.[K+].[K+]>[CH3:1][C:2]1([CH3:3])[O:4][B:5]([c:6]2[cH:7][cH:8][c:9]([O:10][C@@H:11]3[CH2:12][CH2:13][O:14][CH2:15]3)[cH:16][cH:17]2)[O:18][C:19]1([CH3:20])[CH3:21] BICZJRAGTCRORZ-UHFFFAOYSA-N.WWCNXHYRAKUQDB-JTQLQIEISA-N>>BADVZHUEDFHGGK-CQSZACIVSA-N 0.0 Unrecognized False stereospecific False [#8:4]-[C:3]-[C@@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:5]-[c:6]>>C-c1:c:c:c(-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#8:4]):c:c:1.[OH;D1;+0:5]-[c:6] a4d1d613b0d15abfbb039e765e0e1e8310824f85de5c08ea12fecaafcee8d1a9 Cc1ccc(S(=O)(=O)O[C@@H:11]2[CH2:12][CH2:13][O:14][CH2:15]2)cc1.[CH3:1][C:2]1([CH3:3])[O:4][B:5]([c:6]2[cH:7][cH:8][c:9]([OH:10])[cH:16][cH:17]2)[O:18][C:19]1([CH3:20])[CH3:21]>CCOC(C)=O.CN(C)C=O.O=C(O)O.[K+].[K+]>[CH3:1][C:2]1([CH3:3])[O:4][B:5]([c:6]2[cH:7][cH:8][c:9]([O:10][C@H:11]3[CH2:12][CH2:13][O:14][CH2:15]3)[cH:16][cH:17]2)[O:18][C:19]1([CH3:20])[CH3:21] BICZJRAGTCRORZ-UHFFFAOYSA-N.WWCNXHYRAKUQDB-SNVBAGLBSA-N>>BADVZHUEDFHGGK-AWEZNQCLSA-N 0.0 Unrecognized False stereospecific False [#8:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:5]-[c:6]>>C-c1:c:c:c(-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#8:4]):c:c:1.[OH;D1;+0:5]-[c:6] c1aab050715e4312b3f8a878d6ec85617771d5fa66b3c3556742503d3532dc73 [N:1]#[C:2][c:3]1[cH:4][cH:5][cH:6][c:7]2[c:8]1[CH2:9][CH2:10][CH2:11][C:12]2=[O:13]>CCN(CC)CC.Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)cc1.Cl[Ru+]>[N:1]#[C:2][c:3]1[cH:4][cH:5][cH:6][c:7]2[c:8]1[CH2:9][CH2:10][CH2:11][C@H:12]2[OH:13] VIHLGHRPFVEQBU-UHFFFAOYSA-N>>GSFCKZZACCGNJS-LLVKDONJSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 O=P(c1ccccc1)(c1ccccc1)[N:13]=[N+:14]=[N-:15].O[C@H:12]1[c:7]2[cH:6][cH:5][cH:4][c:3]([C:2]#[N:1])[c:8]2[CH2:9][CH2:10][CH2:11]1>C1CCC2=NCCCN2CC1.Cc1ccccc1>[N:1]#[C:2][c:3]1[cH:4][cH:5][cH:6][c:7]2[c:8]1[CH2:9][CH2:10][CH2:11][C@@H:12]2[N:13]=[N+:14]=[N-:15] GSFCKZZACCGNJS-LLVKDONJSA-N.MKRTXPORKIRPDG-UHFFFAOYSA-N>>BSXRXTSMBAOCEL-NSHDSACASA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[c:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@H;D3;+0:1](-[C:2])-[c:3].O=P(-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6])(-c1:c:c:c:c:c:1)-c1:c:c:c:c:c:1 4eb382a86b030c7b24b48197fbe85900b55c4d618bc4c8be93912d86772920a2 [CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH:8]=[C:9]4[CH2:10][C@@H:11]([OH:12])[CH2:13][CH2:14][C@:15]34[CH3:16])[C@@H:17]1[CH2:18][C:19](=[CH:20][c:21]1[cH:22][c:23]([O:24][CH2:25][CH2:26][CH2:27][n:28]3[cH:29][cH:30][n:31][cH:32]3)[cH:33][cH:34][cH:35]1)[C:36]2=[O:37]>B.[Na+]>[CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH:8]=[C:9]4[CH2:10][C@@H:11]([OH:12])[CH2:13][CH2:14][C@:15]34[CH3:16])[C@@H:17]1[CH2:18][C:19](=[CH:20][c:21]1[cH:22][c:23]([O:24][CH2:25][CH2:26][CH2:27][n:28]3[cH:29][cH:30][n:31][cH:32]3)[cH:33][cH:34][cH:35]1)[C@@H:36]2[OH:37] OJNHHIHBTHPWFG-CRKBBSENSA-N>>JHJDBJDQRPDOBI-FDZIHYADSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[C:1]=[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 30b58d787d9916ad48be3323fde35e4d1c60b573ffde717577d2f36c035f619a [N:1]#[C:2][c:3]1[cH:4][cH:5][cH:6][c:7]2[c:8]1[CH2:9][CH2:10][C:11]2=[O:12]>B.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CSC.Cc1ccccc1.ClCCl>[N:1]#[C:2][c:3]1[cH:4][cH:5][cH:6][c:7]2[c:8]1[CH2:9][CH2:10][C@@H:11]2[OH:12] SCTBWJINDJVNDM-UHFFFAOYSA-N>>MEFZMTYUOQFQHF-JTQLQIEISA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][C:2](=[O:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C@H:11]4[CH2:12][C:13](=[O:15])[CH2:16][CH2:17][C@:18]4([CH3:19])[C@H:20]3[CH2:21][CH2:22][C@:23]12[CH3:24].[Li][CH3:14]>C1CCOC1.CCOCOCC.C[Mg]Cl>[CH3:1][C:2](=[O:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C@H:11]4[CH2:12][C@:13]([CH3:14])([OH:15])[CH2:16][CH2:17][C@:18]4([CH3:19])[C@H:20]3[CH2:21][CH2:22][C@:23]12[CH3:24] DVSDBMFJEQPWNO-UHFFFAOYSA-N.XMRPGKVKISIQBV-BJMCWZGWSA-N>>PGTVWKLGGCQMBR-FLBATMFCSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@;H0;D4;+0:3](-[C:4])(-[CH3;D1;+0:1])-[OH;D1;+0:5]>>[CH3;D1;+0:1]-[Li].[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 69026c5b12d28204642ddb70761a8414107a97ee28d0cb9001ca19efc026fec0 [CH3:1][O:2][C:3](=[O:4])[C:5](=[CH:6][c:7]1[cH:8][c:9]2[c:10]([cH:11][cH:12]1)[O:13][C@@H:14]([c:15]1[cH:16][c:17]([O:18][CH2:19][c:20]3[cH:21][c:22]([Cl:23])[c:24]([Cl:25])[cH:26][cH:27]3)[cH:28][cH:29][cH:30]1)[CH2:31][O:32]2)[NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40]>CCOC(C)=O.ClCCl>[CH3:1][O:2][C:3](=[O:4])[C@H:5]([CH2:6][c:7]1[cH:8][c:9]2[c:10]([cH:11][cH:12]1)[O:13][C@@H:14]([c:15]1[cH:16][c:17]([O:18][CH2:19][c:20]3[cH:21][c:22]([Cl:23])[c:24]([Cl:25])[cH:26][cH:27]3)[cH:28][cH:29][cH:30]1)[CH2:31][O:32]2)[NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40] ZQZFFJHCMLLJGF-HHHXNRCGSA-N>>XVWMHDVHFPHVOB-RPLLCQBOSA-N 0.0 Unrecognized False substrate controlled False [C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[#7:6]-[C:7](=[O;D1;H0:8])-[#8:9]-[C:10](-[C;D1;H3:11])(-[C;D1;H3:12])-[C;D1;H3:13])-[CH2;D2;+0:14]-[c:15]>>[C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C;H0;D3;+0:5](-[#7:6]-[C:7](=[O;D1;H0:8])-[#8:9]-[C:10](-[C;D1;H3:11])(-[C;D1;H3:12])-[C;D1;H3:13])=[CH;D2;+0:14]-[c:15] d7bc32a6bd2f844f81efa7699af9f69cd1ab0fa99c14e6289f2518cd953b985b [CH3:1][O:2][C:3](=[O:4])[C:5](=[CH:6][c:7]1[cH:8][c:9]2[c:10]([cH:11][cH:12]1)[O:13][C@H:14]([c:15]1[cH:16][cH:17][c:18]([O:19][CH2:20][c:21]3[cH:22][c:23]([Cl:24])[c:25]([Cl:26])[cH:27][cH:28]3)[cH:29][cH:30]1)[CH2:31][O:32]2)[NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40]>CCOC(C)=O.ClCCl>[CH3:1][O:2][C:3](=[O:4])[C@H:5]([CH2:6][c:7]1[cH:8][c:9]2[c:10]([cH:11][cH:12]1)[O:13][C@H:14]([c:15]1[cH:16][cH:17][c:18]([O:19][CH2:20][c:21]3[cH:22][c:23]([Cl:24])[c:25]([Cl:26])[cH:27][cH:28]3)[cH:29][cH:30]1)[CH2:31][O:32]2)[NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40] KSKRPHSHPQTWJK-MHZLTWQESA-N>>DNAFOSMJBHMVEX-IGKIAQTJSA-N 0.0 Unrecognized False substrate controlled False [C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[#7:6]-[C:7](=[O;D1;H0:8])-[#8:9]-[C:10](-[C;D1;H3:11])(-[C;D1;H3:12])-[C;D1;H3:13])-[CH2;D2;+0:14]-[c:15]>>[C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C;H0;D3;+0:5](-[#7:6]-[C:7](=[O;D1;H0:8])-[#8:9]-[C:10](-[C;D1;H3:11])(-[C;D1;H3:12])-[C;D1;H3:13])=[CH;D2;+0:14]-[c:15] d7bc32a6bd2f844f81efa7699af9f69cd1ab0fa99c14e6289f2518cd953b985b Cc1ccc(S(=O)(=O)O[C@@H:16]2[CH2:17][CH2:18][O:19][CH2:20]2)cc1.[CH3:1][C:2](=[O:3])[O:4][C@H:5]1[C@H:6]([c:7]2[cH:8][c:9]([CH2:10][c:11]3[cH:12][cH:13][c:14]([OH:15])[cH:21][cH:22]3)[c:23]([Cl:24])[cH:25][cH:26]2)[O:27][C:28]2([CH2:29][CH2:30]2)[C@@H:31]([O:32][C:33]([CH3:34])=[O:35])[C@@H:36]1[O:37][C:38]([CH3:39])=[O:40]>CN(C)C=O.O.O=C(O)O.[Cs+].[Cs+]>[CH3:1][C:2](=[O:3])[O:4][C@H:5]1[C@H:6]([c:7]2[cH:8][c:9]([CH2:10][c:11]3[cH:12][cH:13][c:14]([O:15][C@H:16]4[CH2:17][CH2:18][O:19][CH2:20]4)[cH:21][cH:22]3)[c:23]([Cl:24])[cH:25][cH:26]2)[O:27][C:28]2([CH2:29][CH2:30]2)[C@@H:31]([O:32][C:33]([CH3:34])=[O:35])[C@@H:36]1[O:37][C:38]([CH3:39])=[O:40] WWCNXHYRAKUQDB-SNVBAGLBSA-N.XGMXHRKXOYYXMC-JBXUNAHCSA-N>>HWZJEFBGIWGKTG-WJCXGNHWSA-N 0.0 Unrecognized False stereospecific False [#8:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:5]-[c:6]>>C-c1:c:c:c(-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#8:4]):c:c:1.[OH;D1;+0:5]-[c:6] c1aab050715e4312b3f8a878d6ec85617771d5fa66b3c3556742503d3532dc73 Br[CH2:8][C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7].[CH2:9]([CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:21][cH:22]1)[C:23](=[O:24])[N:25]1[C:26](=[O:27])[O:28][CH2:29][C@@H:30]1[CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>C1CCOC1>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:21][cH:22]1)[C:23](=[O:24])[N:25]1[C:26](=[O:27])[O:28][CH2:29][C@@H:30]1[CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1 BNWCETAHAJSBFG-UHFFFAOYSA-N.UUWWNSNGCQHJNP-QHCPKHFHSA-N>>WJVIJAZMNWGCSC-SXOMAYOGSA-N 0.0 Unrecognized False substrate controlled False [#7:9]-[C:10](=[O;D1;H0:11])-[C@H;D3;+0:12](-[C:13])-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8]>>Br-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8].[#7:9]-[C:10](=[O;D1;H0:11])-[CH2;D2;+0:12]-[C:13] 13fabe3179acc35e807f6dcf92033fb8f67f00945b64e9fb074a77e62595aa31 [CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([n:13]1[CH2:14][c:15]1[cH:16][c:17]([Cl:18])[c:19]([Cl:20])[cH:21][cH:22]1)[C:8](=[O:9])[CH2:10][CH2:11][CH2:12]2>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CO.Cl>[CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([n:13]1[CH2:14][c:15]1[cH:16][c:17]([Cl:18])[c:19]([Cl:20])[cH:21][cH:22]1)[C@H:8]([OH:9])[CH2:10][CH2:11][CH2:12]2 OVHNPRRTDADQLG-UHFFFAOYSA-N>>XXKZZHFBNYVRKJ-OAHLLOKOSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2](:[c:3]:[#7;a:4])-[C@@H;D3;+0:5](-[C:6])-[OH;D1;+0:7]>>[#7;a:1]:[c:2](:[c:3]:[#7;a:4])-[C;H0;D3;+0:5](-[C:6])=[O;H0;D1;+0:7] dc60a5a04610f6bbf1e9155a8b968e6a8da226590b78dd057754ee16f1a95056 Br[CH2:8][C:7]([c:6]1[cH:5][cH:4][c:3]([C:2]#[N:1])[cH:11][cH:10]1)=[O:9]>CC(C)(C)O.CS(C)=O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=P(O)(O)O.[Na+].[Na+].[Na+].[Na+]>[N:1]#[C:2][c:3]1[cH:4][cH:5][c:6]([C@H:7]2[CH2:8][O:9]2)[cH:10][cH:11]1 LJANCPRIUMHGJE-UHFFFAOYSA-N>>WLNIRLBZLAAEAQ-SECBINFHSA-N 0.0 Unrecognized True reagent controlled False [C@@H;D3;+0:2]1-[CH2;D2;+0:1]-[O;H0;D2;+0:3]-1>>Br-[CH2;D2;+0:1]-[C;H0;D3;+0:2]=[O;H0;D1;+0:3] ac8937a87a30632d29323b1570ec4c3062e4719c00670bd84d926d8aa910dfe8 [CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([n:13]1[CH2:14][c:15]1[cH:16][c:17]([Cl:18])[c:19]([Cl:20])[cH:21][cH:22]1)[C:8](=[O:9])[CH2:10][CH2:11][CH2:12]2>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CO.Cl>[CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([n:13]1[CH2:14][c:15]1[cH:16][c:17]([Cl:18])[c:19]([Cl:20])[cH:21][cH:22]1)[C@H:8]([OH:9])[CH2:10][CH2:11][CH2:12]2 OVHNPRRTDADQLG-UHFFFAOYSA-N>>XXKZZHFBNYVRKJ-OAHLLOKOSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2](:[c:3]:[#7;a:4])-[C@H;D3;+0:5](-[C:6])-[OH;D1;+0:7]>>[#7;a:1]:[c:2](:[c:3]:[#7;a:4])-[C;H0;D3;+0:5](-[C:6])=[O;H0;D1;+0:7] 1d6046db8206bf06f418a551069f22ab5843622f925a903afc3a54b3c8d7193b [CH3:1][CH2:2][O:3][C:4](=[O:5])[CH:6]=[C:7]1[CH2:8][C@H:9]([CH2:10][OH:11])[C@H:12]([CH2:13][CH3:14])[CH2:15]1>C1=CCCC=CCC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.ClCCl.F[PH](F)(F)(F)(F)F.[Ir].c1ccncc1>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C@H:7]1[CH2:8][C@H:9]([CH2:10][OH:11])[C@H:12]([CH2:13][CH3:14])[CH2:15]1 MHSOWLBFPRFDMO-GHMZBOCLSA-N>>VXYYTFQGRUQDRP-GMTAPVOTSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[CH2;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[CH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9] 0022a460cfeab7c3344032f18c80fa5e6a335be807d569b9cc6e853320d227b8 [CH3:1][C@@H:2]1[CH2:3][C:4](=[O:5])[CH2:6][CH2:7][C@H:8]1[NH:9][c:10]1[n:11][cH:12][c:13]([C:14]#[N:15])[c:16]2[c:17]1[c:18]1[c:19]([cH:20][c:21]([Cl:22])[cH:23][cH:24]1)[nH:25]2>CO.O.B.Cl.Cl.N.[Na+].[Na+]>[CH3:1][C@@H:2]1[CH2:3][C@H:4]([OH:5])[CH2:6][CH2:7][C@H:8]1[NH:9][c:10]1[n:11][cH:12][c:13]([C:14]#[N:15])[c:16]2[c:17]1[c:18]1[c:19]([cH:20][c:21]([Cl:22])[cH:23][cH:24]1)[nH:25]2 XEGYPLPNVIWZEB-MEBBXXQBSA-N>>MMHBADBLJRJQMK-WDBKCZKBSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C@@H:2]1[CH2:3][C:4](=[O:5])[CH2:6][CH2:7][C@H:8]1[NH:9][c:10]1[n:11][cH:12][c:13]([C:14]#[N:15])[c:16]2[c:17]1[c:18]1[c:19]([cH:20][cH:21][c:22]([F:23])[cH:24]1)[nH:25]2>CO.O.B.Cl.Cl.N.[Na+].[Na+]>[CH3:1][C@@H:2]1[CH2:3][C@H:4]([OH:5])[CH2:6][CH2:7][C@H:8]1[NH:9][c:10]1[n:11][cH:12][c:13]([C:14]#[N:15])[c:16]2[c:17]1[c:18]1[c:19]([cH:20][cH:21][c:22]([F:23])[cH:24]1)[nH:25]2 OVIIHYBIHMSATN-MEBBXXQBSA-N>>AIWQRHFRFWTGOU-WDBKCZKBSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][C:7](=[O:8])[c:9]1[cH:10][c:11]([O:12][CH3:13])[cH:14][cH:15][cH:16]1>C1CCOC1.C[C@@H]1C2CCC(C[C@H]1B(Cl)[C@@H]1CC3CCC([C@H]1C)C3(C)C)C2(C)C.OCCNCCO>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][C@H:7]([OH:8])[c:9]1[cH:10][c:11]([O:12][CH3:13])[cH:14][cH:15][cH:16]1 LXQLFZQEAKZYNY-UHFFFAOYSA-N>>UNJHNFYVUGSYHF-NSHDSACASA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c I[CH2:3][CH:2]=[CH2:1].[CH2:4]1[CH2:5][C@H:6]([c:7]2[cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[cH:14][cH:15][cH:16]2)[N:17]([c:18]2[cH:19][cH:20][c:21]([O:22][c:23]3[cH:24][cH:25][c:26]([Cl:27])[cH:28][cH:29]3)[cH:30][cH:31]2)[C:32]1=[O:33]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH2:1]=[CH:2][CH2:3][C@H:4]1[CH2:5][C@H:6]([c:7]2[cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[cH:14][cH:15][cH:16]2)[N:17]([c:18]2[cH:19][cH:20][c:21]([O:22][c:23]3[cH:24][cH:25][c:26]([Cl:27])[cH:28][cH:29]3)[cH:30][cH:31]2)[C:32]1=[O:33] CKOPGFGCJWIJOG-OAQYLSRUSA-N.HFEHLDPGIKPNKL-UHFFFAOYSA-N>>MTLFBIFFWJXZNB-MHECFPHRSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3]>>I-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3].[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 3524875e62a2e9677016fc603ae9e216221f84c774031a133a32514c2dcfcd54 O[C@H:14]1[C@H:9]([NH:8][C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:10][CH2:11][CH2:12][CH2:13]1.[NH:15]1[C:16](=[O:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[C:24]1=[O:25]>C1CCOC1.CC(C)OC(=O)N=NC(=O)OC(C)C.Cc1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]1[CH2:10][CH2:11][CH2:12][CH2:13][C@@H:14]1[N:15]1[C:16](=[O:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[C:24]1=[O:25] XKJCHHZQLQNZHY-UHFFFAOYSA-N.XVROWZPERFUOCE-RKDXNWHRSA-N>>OCYHKWRRLRHYDF-CABCVRRESA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C:3])-[N;H0;D3;+0:6]1-[C:5](=[O;D1;H0:4])-[c:14]2:[c:13]:[c:12]:[c:11]:[c:10]:[c:9]:2-[C:7]-1=[O;D1;H0:8]>>O-[C@@H;D3;+0:1](-[C:2])-[C:3].[O;D1;H0:4]=[C:5]1-[NH;D2;+0:6]-[C:7](=[O;D1;H0:8])-[c:9]2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2-1 02a886d832aae308fc32aede35a06c83c07e9a2be5d99a7d8b68eccf21ccbbed [CH2:1]=[C:2]([CH3:3])[C:4](=[O:5])[C@H:6]([CH2:7][c:8]1[cH:9][cH:10][c:11]([CH2:12][NH:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[cH:21][cH:22]1)[NH:23][C:24](=[O:25])[O:26][CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1>CC(=O)O.CO.B.[Na+]>[CH2:1]=[C:2]([CH3:3])[C@@H:4]([OH:5])[C@H:6]([CH2:7][c:8]1[cH:9][cH:10][c:11]([CH2:12][NH:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[cH:21][cH:22]1)[NH:23][C:24](=[O:25])[O:26][CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1 OFZIXHYDIHHPNE-QFIPXVFZSA-N>>LJTVOJDRHOHDIJ-XZOQPEGZSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]=[C;D1;H2:5]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]=[C;D1;H2:5] 30b58d787d9916ad48be3323fde35e4d1c60b573ffde717577d2f36c035f619a [CH3:1][CH2:2][CH2:3][O:4][C:5](=[O:6])[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][C@H:13]1[C@H:14]([Cl:15])[CH2:16][C@@H:17]([O:18][CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23][O:24]2)[C@@H:25]1/[CH:26]=[CH:27]/[C:28](=[O:29])[CH2:30][CH2:31][CH2:32][C@@H:33]([CH3:34])[O:35][Si:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[CH3:42]>ClCCl>[CH3:1][CH2:2][CH2:3][O:4][C:5](=[O:6])[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][C@H:13]1[C@H:14]([Cl:15])[CH2:16][C@@H:17]([O:18][CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23][O:24]2)[C@@H:25]1/[CH:26]=[CH:27]/[C@@H:28]([OH:29])[CH2:30][CH2:31][CH2:32][C@@H:33]([CH3:34])[O:35][Si:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[CH3:42] PASSWHZJZFFRPW-YAKLXFCCSA-N>>QYVCENQTPVNJRU-HDVDXKJFSA-N 0.0 Unrecognized False substrate controlled False [C:1]/[C:2]=[C:3]/[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[C:1]/[C:2]=[C:3]/[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] aa0c5d364c7b0880336e4d2a527b429971b8f795c3ee991061e4feff1f6058c0 [CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][C:7](=[O:8])[c:9]1[cH:10][c:11]([O:12][CH3:13])[cH:14][cH:15][cH:16]1>C1CCOC1.C[C@@H]1C2CCC(C[C@H]1B(Cl)[C@@H]1CC3CCC([C@H]1C)C3(C)C)C2(C)C.OCCNCCO>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][C@H:7]([OH:8])[c:9]1[cH:10][c:11]([O:12][CH3:13])[cH:14][cH:15][cH:16]1 LXQLFZQEAKZYNY-UHFFFAOYSA-N>>UNJHNFYVUGSYHF-NSHDSACASA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 O[C@H:4]1[CH2:5][N:6]2[CH2:7][CH2:8][CH:9]1[CH2:10][CH2:11]2.[O:1]=[C:2]([OH:3])[CH:12]([NH:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1>C1CCOC1.CCOC(=O)/N=N/C(=O)OCC.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[O:1]=[C:2]([O:3][C@@H:4]1[CH2:5][N:6]2[CH2:7][CH2:8][CH:9]1[CH2:10][CH2:11]2)[CH:12]([NH:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1 IVLICPVPXWEGCA-ZETCQYMHSA-N.NFEVMRNCAGDLBK-UHFFFAOYSA-N>>OEHKRTNZAMLBBF-FIWHBWSRSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:7]-[C:6]=[O;D1;H0:5]>>O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[O;D1;H0:5]=[C:6]-[OH;D1;+0:7] 0da8f215db1d4fa11d2a09112c2ff5ab5aa942c07e7fd962d062328ddf605964 [CH3:1][C:2](=[O:3])[c:4]1[cH:5][c:6]([Br:7])[cH:8][n:9][cH:10]1>B.C1CCOC1.COB(OC)OC.CSC.Cl.OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1>[CH3:1][C@@H:2]([OH:3])[c:4]1[cH:5][c:6]([Br:7])[cH:8][n:9][cH:10]1 LDBPZEQZCOUYFT-UHFFFAOYSA-N>>SRELUKWTQNFSRR-RXMQYKEDSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[C;D1;H3:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C;D1;H3:5])=[O;H0;D1;+0:6] 59818681547a35b540f5f8f7dbade1077a9ae258660c4149c86b99538d1ed2c0 CS(=O)(=O)O[C@@H:14]1[C@@H:9]([NH:8][C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:10][O:11][CH2:12][CH2:13]1.[N-:15]=[N+:16]=[N-:17]>CC(=O)O.CCOC(C)=O.CN(C)C=O.O.[Na+].[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@H:9]1[CH2:10][O:11][CH2:12][CH2:13][C@H:14]1[N:15]=[N+:16]=[N-:17] IVRMZWNICZWHMI-UHFFFAOYSA-N.OJHYVNWQNQGHRP-IUCAKERBSA-N>>ONIFJYIOJUHWRX-SFYZADRCSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 492c430f48d637aab0c971721cb4d8366eed9f75b9bf7a9ee5b238cfd7eb0d61 O=C(O)[C@@H:10]1[CH2:9][N:8]([C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:21][C@H:12]1[c:13]1[cH:14][c:15]([Cl:16])[c:17]([Cl:18])[cH:19][cH:20]1.[N-]=[N+]=[N:11]P(=O)(c1ccccc1)c1ccccc1>CCN(CC)CC.Cc1ccccc1.O.[Na+].O>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C@@H:10]([NH2:11])[C@H:12]([c:13]2[cH:14][c:15]([Cl:16])[c:17]([Cl:18])[cH:19][cH:20]2)[CH2:21]1 MKRTXPORKIRPDG-UHFFFAOYSA-N.YAFUFMBNEFTUBN-WDEREUQCSA-N>>VJPRKALAWAMTQP-GXFFZTMASA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[NH2;D1;+0:5]>>O-C(=O)-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].O=P(-[N;H0;D2;+0:5]=[N+]=[N-])(-c1:c:c:c:c:c:1)-c1:c:c:c:c:c:1 11a2f26fc0cafb5e8dcde0c3fb722477ac755240c9ffc84bb2db51212ab6ebc0 [CH3:1][C:2](=[O:3])[O:4][CH2:5][C:6](=[O:7])[C@@:8]1([O:9][C:10]([CH3:11])=[O:12])[CH2:13][CH2:14][C@H:15]2[C@@H:16]3[CH2:17][CH2:18][C:19]4=[CH:20][C:21](=[O:22])[CH:23]=[CH:24][C@:25]4([CH3:26])[C@H:27]3[C:28](=[O:29])[CH2:30][C@:31]12[CH3:32]>C1CCOC1.CO.Cl.B.[Na+]>[CH3:1][C:2](=[O:3])[O:4][CH2:5][C:6](=[O:7])[C@@:8]1([O:9][C:10]([CH3:11])=[O:12])[CH2:13][CH2:14][C@H:15]2[C@@H:16]3[CH2:17][CH2:18][C:19]4=[CH:20][C:21](=[O:22])[CH:23]=[CH:24][C@:25]4([CH3:26])[C@H:27]3[C@@H:28]([OH:29])[CH2:30][C@:31]12[CH3:32] ADKSQQOMYDIKJT-AHLAAXOLSA-N>>VWLTWMGSJXSKQJ-WEXULQILSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d O=[CH:4][C:5]([CH3:6])([CH3:7])[CH3:8].[CH3:1][C@@H:2]([NH2:3])[C:19]([NH:9][c:10]1[cH:11][c:12]([Cl:13])[c:14]([F:15])[c:16]([Cl:17])[cH:18]1)=[O:20]>CCCCCC.Cc1ccccc1>[CH3:1][C@H:2]1[NH:3][C@H:4]([C:5]([CH3:6])([CH3:7])[CH3:8])[N:9]([c:10]2[cH:11][c:12]([Cl:13])[c:14]([F:15])[c:16]([Cl:17])[cH:18]2)[C:19]1=[O:20] FJJYHTVHBVXEEQ-UHFFFAOYSA-N.PYDPBIQJYMUEFI-SCSAIBSYSA-N>>DMRSZCZZWHTQET-UHLUBPPHSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D3;+0:4]1-[C@@H;D3;+0:3]-[NH;D2;+0:2]-[C@H;D3;+0:1]-[N;H0;D3;+0:5]-1>>O=[CH;D2;+0:1].[NH2;D1;+0:2]-[C@@H;D3;+0:3]-[C;H0;D3;+0:4]-[NH;D2;+0:5] 4affabb300405c86b5efe7b32bc1c130b68df513bce638e8b5eb2a999e2e6714 [O:1]=[C:2]1[CH2:3][C@H:4]2[C@H:5]([CH2:6][C@@H:7]([O:8][C:9](=[O:10])[c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[C@@H:17]2/[CH:18]=[CH:19]/[C:20](=[O:21])[CH2:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[O:30]1>C1CCOC1.CO>[O:1]=[C:2]1[CH2:3][C@H:4]2[C@H:5]([CH2:6][C@@H:7]([O:8][C:9](=[O:10])[c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[C@@H:17]2/[CH:18]=[CH:19]/[C@@H:20]([OH:21])[CH2:22][CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[O:30]1 XMDHRDDKCRNISB-ZTWUSJMCSA-N>>GWKXXTFDNXEANF-ONKQBBKDSA-N 0.0 Unrecognized False substrate controlled False [C:1]/[C:2]=[C:3]/[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[C:1]/[C:2]=[C:3]/[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] aa0c5d364c7b0880336e4d2a527b429971b8f795c3ee991061e4feff1f6058c0 [CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH:8]=[C:9]4[CH2:10][C@@H:11]([OH:12])[CH2:13][CH2:14][C@:15]34[CH3:16])[C@@H:17]1[CH2:18][CH2:19][C:20]2=[O:21]>CC#N.O>[CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]3[C@@H:6]([CH2:7][CH:8]=[C:9]4[CH2:10][C@@H:11]([OH:12])[CH2:13][CH2:14][C@:15]34[CH3:16])[C@@H:17]1[CH2:18][CH2:19][C@@H:20]2[OH:21] FMGSKLZLMKYGDP-USOAJAOKSA-N>>QADHLRWLCPCEKT-LOVVWNRFSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 O=S1(=O)O[C@@H:15]([CH3:16])[C@H:17]([CH3:18])[O:19]1.[CH3:1][c:2]1[c:3](-[c:4]2[c:5]([C:6]([F:7])([F:8])[F:9])[cH:10][cH:11][cH:12][cH:13]2)[nH:14][cH:20][c:21]1[C:22](=[O:23])[NH:24][c:25]1[cH:26][cH:27][c:28]([S:29]([CH3:30])(=[O:31])=[O:32])[cH:33][cH:34]1>CC(=O)N(C)C.CC(C)(C)O.Cl.[Na+]>[CH3:1][c:2]1[c:3](-[c:4]2[c:5]([C:6]([F:7])([F:8])[F:9])[cH:10][cH:11][cH:12][cH:13]2)[n:14]([C@H:15]([CH3:16])[C@H:17]([CH3:18])[OH:19])[cH:20][c:21]1[C:22](=[O:23])[NH:24][c:25]1[cH:26][cH:27][c:28]([S:29]([CH3:30])(=[O:31])=[O:32])[cH:33][cH:34]1 POVNYOLUWDFQOZ-IMJSIDKUSA-N.QBMZGPYCBRVTKF-UHFFFAOYSA-N>>AAJDXRXNKJLUSF-CVEARBPZSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]-[OH;D1;+0:4])-[n;H0;D3;+0:6](:[c:5]):[c:7]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[O;H0;D2;+0:4]-1.[c:5]:[nH;D2;+0:6]:[c:7] 76203164ad4e974c4ba6407e20c6f276894d4cc52e9fba3b72d224ca7e71cc0a O=S1(=O)O[C@@H:16]([CH3:17])[C@H:18]([CH3:19])[O:20]1.[CH3:1][c:2]1[c:3](-[c:4]2[c:5]([C:6]([F:7])([F:8])[F:9])[cH:10][c:11]([F:12])[cH:13][cH:14]2)[nH:15][cH:21][c:22]1[C:23](=[O:24])[NH:25][c:26]1[cH:27][cH:28][c:29]([S:30]([CH3:31])(=[O:32])=[O:33])[cH:34][cH:35]1>CC(=O)N(C)C.CC(C)(C)O.Cl.[Na+]>[CH3:1][c:2]1[c:3](-[c:4]2[c:5]([C:6]([F:7])([F:8])[F:9])[cH:10][c:11]([F:12])[cH:13][cH:14]2)[n:15]([C@H:16]([CH3:17])[C@H:18]([CH3:19])[OH:20])[cH:21][c:22]1[C:23](=[O:24])[NH:25][c:26]1[cH:27][cH:28][c:29]([S:30]([CH3:31])(=[O:32])=[O:33])[cH:34][cH:35]1 LKHSQHBGFOXXHO-UHFFFAOYSA-N.POVNYOLUWDFQOZ-IMJSIDKUSA-N>>RKOXRANVRDCFQL-CABCVRRESA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]-[OH;D1;+0:4])-[n;H0;D3;+0:6](:[c:5]):[c:7]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[O;H0;D2;+0:4]-1.[c:5]:[nH;D2;+0:6]:[c:7] 76203164ad4e974c4ba6407e20c6f276894d4cc52e9fba3b72d224ca7e71cc0a O=S1(=O)O[C@@H:16]([CH3:17])[C@H:18]([CH3:19])[O:20]1.[CH3:1][c:2]1[c:3](-[c:4]2[c:5]([C:6]([F:7])([F:8])[F:9])[cH:10][c:11]([Cl:12])[cH:13][cH:14]2)[nH:15][cH:21][c:22]1[C:23](=[O:24])[NH:25][c:26]1[cH:27][cH:28][c:29]([S:30]([CH3:31])(=[O:32])=[O:33])[cH:34][cH:35]1>CC(=O)N(C)C.CC(C)(C)O.Cl.[Na+]>[CH3:1][c:2]1[c:3](-[c:4]2[c:5]([C:6]([F:7])([F:8])[F:9])[cH:10][c:11]([Cl:12])[cH:13][cH:14]2)[n:15]([C@H:16]([CH3:17])[C@H:18]([CH3:19])[OH:20])[cH:21][c:22]1[C:23](=[O:24])[NH:25][c:26]1[cH:27][cH:28][c:29]([S:30]([CH3:31])(=[O:32])=[O:33])[cH:34][cH:35]1 POVNYOLUWDFQOZ-IMJSIDKUSA-N.WOTUGFJUDKEEBO-UHFFFAOYSA-N>>NHVGLTBLUNAPQE-CABCVRRESA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]-[OH;D1;+0:4])-[n;H0;D3;+0:6](:[c:5]):[c:7]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[O;H0;D2;+0:4]-1.[c:5]:[nH;D2;+0:6]:[c:7] 76203164ad4e974c4ba6407e20c6f276894d4cc52e9fba3b72d224ca7e71cc0a O=S1(=O)O[C@@H:13]([CH3:14])[C@H:15]([CH3:16])[O:17]1.[CH3:1][c:2]1[c:3](-[c:4]2[c:5]([Cl:6])[cH:7][c:8]([F:9])[cH:10][cH:11]2)[nH:12][cH:18][c:19]1[C:20](=[O:21])[NH:22][c:23]1[cH:24][cH:25][c:26]([S:27]([CH3:28])(=[O:29])=[O:30])[cH:31][cH:32]1>CC(=O)N(C)C.CC(C)(C)O.Cl.[Na+]>[CH3:1][c:2]1[c:3](-[c:4]2[c:5]([Cl:6])[cH:7][c:8]([F:9])[cH:10][cH:11]2)[n:12]([C@H:13]([CH3:14])[C@H:15]([CH3:16])[OH:17])[cH:18][c:19]1[C:20](=[O:21])[NH:22][c:23]1[cH:24][cH:25][c:26]([S:27]([CH3:28])(=[O:29])=[O:30])[cH:31][cH:32]1 AEWIRPQKEAOPHF-UHFFFAOYSA-N.POVNYOLUWDFQOZ-IMJSIDKUSA-N>>WSRMVIRQHUZSGA-CABCVRRESA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[C:3]-[OH;D1;+0:4])-[n;H0;D3;+0:6](:[c:5]):[c:7]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[O;H0;D2;+0:4]-1.[c:5]:[nH;D2;+0:6]:[c:7] 76203164ad4e974c4ba6407e20c6f276894d4cc52e9fba3b72d224ca7e71cc0a Cl[CH2:15][CH2:16][CH2:17][CH2:18][O:19][Si:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[CH3:26].[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH2:11][C@@H:12]([C:13](=[O:14])[c:27]2[cH:28][c:29]([Cl:30])[cH:31][cH:32][cH:33]2)[CH2:34]1>C1CCOC1>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH2:11][C@@H:12]([C@@:13]([OH:14])([CH2:15][CH2:16][CH2:17][CH2:18][O:19][Si:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[CH3:26])[c:27]2[cH:28][c:29]([Cl:30])[cH:31][cH:32][cH:33]2)[CH2:34]1 BAGDSBRGWXVOOH-CYBMUJFWSA-N.MTQPZXNVDIKRAK-UHFFFAOYSA-N>>MDDPNKDOWAQLSL-AJTFRIOCSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@;H0;D4;+0:4](-[OH;D1;+0:5])(-[c:6])-[CH2;D2;+0:1]-[C:2]>>Cl-[CH2;D2;+0:1]-[C:2].[C:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[c:6] 9bad69c294d523da244863014cf86f43319bb55226a740294ff78c57b2bf9a11 [CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[C@@H:7]2[CH2:8][CH2:9][CH2:10][N:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:19]2)[cH:20][cH:21][cH:22]1>C1CCOC1.CCOC(C)=O.CO.Cc1ccccc1>[CH3:1][c:2]1[cH:3][c:4]([C@@H:5]([OH:6])[C@@H:7]2[CH2:8][CH2:9][CH2:10][N:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:19]2)[cH:20][cH:21][cH:22]1 HMXZUHCQSFELGO-OAHLLOKOSA-N>>MWZPSCRVOXKLDE-HZPDHXFCSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[C@@H:7]2[CH2:8][CH2:9][CH2:10][N:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:19]2)[cH:20][c:21]([F:22])[cH:23]1>CO.B.[Na+]>[CH3:1][c:2]1[cH:3][c:4]([C@H:5]([OH:6])[C@@H:7]2[CH2:8][CH2:9][CH2:10][N:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:19]2)[cH:20][c:21]([F:22])[cH:23]1 BOBYTTMAWFSZSK-CYBMUJFWSA-N>>DOWGCURZWHDXEL-CZUORRHYSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 I[CH2:14][C@H:15]1[CH2:16][C@@H:17]([F:18])[C@H:19]([O:20][Si:21]([CH3:22])([CH3:23])[C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:28]1.[CH3:1][O:2][C:3]1=[N:4][C@H:5]([CH:6]([CH3:7])[CH3:8])[C:9]([O:10][CH3:11])=[N:12][CH2:13]1>C1CCOC1.[Li]CCCC>[CH3:1][O:2][C:3]1=[N:4][C@H:5]([CH:6]([CH3:7])[CH3:8])[C:9]([O:10][CH3:11])=[N:12][C@H:13]1[CH2:14][C@H:15]1[CH2:16][C@@H:17]([F:18])[C@H:19]([O:20][Si:21]([CH3:22])([CH3:23])[C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:28]1 FCFWEOGTZZPCTO-MRVPVSSYSA-N.UJJIZGQILVQZLO-HBNTYKKESA-N>>CECBCXYCYHQVJA-UYTYNIKBSA-N 0.0 Unrecognized False substrate controlled False [#7:3]=[C:4]-[C@@H;D3;+0:5](-[#7:6]=[C:7])-[CH2;D2;+0:1]-[C:2]>>I-[CH2;D2;+0:1]-[C:2].[#7:3]=[C:4]-[CH2;D2;+0:5]-[#7:6]=[C:7] f772ab2b2472b265f28f8e53a7eb9edf17975d1adebadc0177f17e8dbaaa2e59 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH2:11][C@@H:12]([C:13](=[O:14])[c:15]2[cH:16][c:17]([Cl:18])[c:19]([F:20])[cH:21][cH:22]2)[CH2:23]1>C1CCOC1.CCOC(C)=O.CO.Cc1ccccc1>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH2:11][C@@H:12]([C@@H:13]([OH:14])[c:15]2[cH:16][c:17]([Cl:18])[c:19]([F:20])[cH:21][cH:22]2)[CH2:23]1 FISLOISKDWJQBM-GFCCVEGCSA-N>>DFMKXSBUNFHGJR-DOMZBBRYSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][O:2][C:3](=[O:4])[NH:5][C@@H:6]([CH3:7])[C:8](=[O:9])[c:10]1[c:11]([O:12][CH3:13])[cH:14][cH:15][c:16]([O:17][CH3:18])[cH:19]1>C[SiH](C)c1ccccc1.ClCCl.O=C(O)C(F)(F)F>[CH3:1][O:2][C:3](=[O:4])[NH:5][C@@H:6]([CH3:7])[C@H:8]([OH:9])[c:10]1[c:11]([O:12][CH3:13])[cH:14][cH:15][c:16]([O:17][CH3:18])[cH:19]1 VKGYNKWEQAYGSN-QMMMGPOBSA-N>>AUATWRLEFASUPL-UFBFGSQYSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][C:2](=[O:3])[c:4]1[cH:5][c:6]([Br:7])[cH:8][n:9][cH:10]1>B.C1CCOC1.COB(OC)OC.CSC.Cl.OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1>[CH3:1][C@@H:2]([OH:3])[c:4]1[cH:5][c:6]([Br:7])[cH:8][n:9][cH:10]1 LDBPZEQZCOUYFT-UHFFFAOYSA-N>>SRELUKWTQNFSRR-RXMQYKEDSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[C;D1;H3:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C;D1;H3:5])=[O;H0;D1;+0:6] 8195ad48987c12d459870b75bedef46a37480b4c6c44771b180631aa2774a53a CS(=O)[CH3:20].[O:1]=[C:2]1[N:3]([c:4]2[cH:5][cH:6][c:7]([O:8][CH2:9][C:10]([F:11])([F:12])[F:13])[cH:14][cH:15]2)[CH2:16][C@@H:17]2[CH2:18][C:19](=[O:21])[CH2:22][N:23]12>C[S+](C)(C)=O.O.Cl.[HH].I.[Na+].[Na+]>[O:1]=[C:2]1[N:3]([c:4]2[cH:5][cH:6][c:7]([O:8][CH2:9][C:10]([F:11])([F:12])[F:13])[cH:14][cH:15]2)[CH2:16][C@@H:17]2[CH2:18][C@:19]3([CH2:20][O:21]3)[CH2:22][N:23]12 AKLVXXBALNVQME-JTQLQIEISA-N.IAZDPXIOMUYVGZ-UHFFFAOYSA-N>>UFOGHBMVTVTFBD-SMDDNHRTSA-N 0.0 Unrecognized True substrate controlled False [C@;H0;D4;+0:2]1-[CH2;D2;+0:1]-[O;H0;D2;+0:3]-1>>C-S(=O)-[CH3;D1;+0:1].[C;H0;D3;+0:2]=[O;H0;D1;+0:3] 6d683b8fd97e1aac998b070e68e8712c3314b9e3692bab53c3b3e9950b536074 [CH3:1][CH2:2][CH2:3][CH2:4][C:5]([CH3:6])([CH3:7])[C:8](=[O:9])/[CH:10]=[CH:11]/[C@H:12]1[CH2:13][O:14][C:15](=[O:16])[N:17]1[CH2:18][CH2:19][S:20][c:21]1[n:22][c:23]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[cH:29][s:30]1>CC(=O)O.CO.O.B.[Na+]>[CH3:1][CH2:2][CH2:3][CH2:4][C:5]([CH3:6])([CH3:7])[C@H:8]([OH:9])/[CH:10]=[CH:11]/[C@H:12]1[CH2:13][O:14][C:15](=[O:16])[N:17]1[CH2:18][CH2:19][S:20][c:21]1[n:22][c:23]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[cH:29][s:30]1 XWTZPCGTCPBGJH-HVHJFMEUSA-N>>GKEATRSSBDANRJ-IVAPMYIESA-N 0.0 Unrecognized False substrate controlled False [C:1]/[C:2]=[C:3]/[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[C:1]/[C:2]=[C:3]/[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] aa0c5d364c7b0880336e4d2a527b429971b8f795c3ee991061e4feff1f6058c0 [O:1]=[C:2]1[CH2:3][CH2:4][c:5]2[c:6]([Br:7])[cH:8][cH:9][cH:10][c:11]21>B.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CSC.ClCCl>[OH:1][C@H:2]1[CH2:3][CH2:4][c:5]2[c:6]([Br:7])[cH:8][cH:9][cH:10][c:11]21 UVVYFYLSZIMKMC-UHFFFAOYSA-N>>RNXQQZNOSYBFTN-VIFPVBQESA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][C:2](=[O:3])[c:4]1[c:5]([Cl:6])[c:7]([F:8])[cH:9][cH:10][c:11]1[Cl:12]>Cl.O.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=S(=O)(O)O.OCCN(CCO)CCO.[Mg+2].[Na+].O>[CH3:1][C@H:2]([OH:3])[c:4]1[c:5]([Cl:6])[c:7]([F:8])[cH:9][cH:10][c:11]1[Cl:12] VJBFZHHRVCPAPZ-UHFFFAOYSA-N>>JAOYKRSASYNDGH-BYPYZUCNSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]2[cH:8][n:9][c:10]([Cl:11])[cH:12][c:13]2[cH:14]1>C1CCOC1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)cc1.Cl[Ru]Cl.Cl[Ru]Cl.O.O=CO.[Na+]>[CH3:1][C@@H:2]([OH:3])[c:4]1[cH:5][cH:6][c:7]2[cH:8][n:9][c:10]([Cl:11])[cH:12][c:13]2[cH:14]1 BIEHIVQYNGSJBU-UHFFFAOYSA-N>>WHAFLPMAEHDLTP-SSDOTTSWSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 I[CH3:8].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][C:9](=[O:10])[N:11]2[C:12](=[O:13])[O:14][CH2:15][C@@H:16]2[CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:24][cH:25]1>C1CCOC1.CC(C)NC(C)C.[Li+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C@@H:7]([CH3:8])[C:9](=[O:10])[N:11]2[C:12](=[O:13])[O:14][CH2:15][C@@H:16]2[CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:24][cH:25]1 INQOMBQAUSQDDS-UHFFFAOYSA-N.TZQSEGYIJAOXAW-INIZCTEOSA-N>>RGRPPZUPQFZPPD-PBHICJAKSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[CH3;D1;+0:1])-[c:6]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[c:6] 4408f97d137a726e1ab3843c13949afd149d8ae22ca196aabdfd63f64c9b350a [CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([O:6][C@H:7]1[CH2:8][C@H:9]2[CH2:10][C@@H:11]1[CH2:12][C:13]2=[O:14])([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.[Li+]>[CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([O:6][C@H:7]1[CH2:8][C@H:9]2[CH2:10][C@@H:11]1[CH2:12][C@H:13]2[OH:14])([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1 CKFYYOADFBQFMS-HMFYCAOWSA-N>>ZCOFZDRHJKGGKZ-YHBROIRLSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d O[C@H:13]1[C@H:9]2[CH2:8][C@H:7]([O:6][Si:5]([C:2]([CH3:1])([CH3:3])[CH3:4])([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[C@H:11]([CH2:10]2)[CH2:12]1.[NH:14]1[C:15](=[O:16])[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[C:23]1=[O:24]>C1CCOC1.CCOC(=O)N=NC(=O)OCC.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([O:6][C@H:7]1[CH2:8][C@H:9]2[CH2:10][C@@H:11]1[CH2:12][C@@H:13]2[N:14]1[C:15](=[O:16])[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[C:23]1=[O:24])([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1 XKJCHHZQLQNZHY-UHFFFAOYSA-N.ZCOFZDRHJKGGKZ-YHBROIRLSA-N>>JNHOCKUUIWGXGU-BIQRORRISA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C:3])-[N;H0;D3;+0:6]1-[C:5](=[O;D1;H0:4])-[c:14]2:[c:13]:[c:12]:[c:11]:[c:10]:[c:9]:2-[C:7]-1=[O;D1;H0:8]>>O-[C@@H;D3;+0:1](-[C:2])-[C:3].[O;D1;H0:4]=[C:5]1-[NH;D2;+0:6]-[C:7](=[O;D1;H0:8])-[c:9]2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2-1 02a886d832aae308fc32aede35a06c83c07e9a2be5d99a7d8b68eccf21ccbbed [CH3:1][CH:2]([CH3:3])[C:4]1([CH3:5])[S:6][C:7]([NH:8][C@H:9]2[CH2:10][C@H:11]3[CH2:12][C@@H:13]2[CH2:14][C:15]3=[O:16])=[N:17][C:18]1=[O:19]>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.[Li+]>[CH3:1][CH:2]([CH3:3])[C:4]1([CH3:5])[S:6][C:7]([NH:8][C@H:9]2[CH2:10][C@H:11]3[CH2:12][C@@H:13]2[CH2:14][C@H:15]3[OH:16])=[N:17][C:18]1=[O:19] AFXLZRLKIFZPEL-OQVKGCGUSA-N>>VXWZKCPEMUMBQL-BKVDRDDWSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d Br[c:8]1[cH:7][cH:6][c:5](-[c:4]2[c:3]([CH:2]=[CH2:1])[cH:33][cH:32][cH:31][cH:30]2)[cH:29][cH:28]1.[C:9]1(=[O:10])[CH2:11][C@@H:12]([C:13](=[O:14])[O:15][CH3:16])[N:17]([C:18](=[O:19])[O:20][CH2:21][CH2:22][Si:23]([CH3:24])([CH3:25])[CH3:26])[CH2:27]1>C1CCOC1.Cc1ccccc1.[Mg]>[CH2:1]=[CH:2][c:3]1[c:4](-[c:5]2[cH:6][cH:7][c:8]([C@:9]3([OH:10])[CH2:11][C@@H:12]([C:13](=[O:14])[O:15][CH3:16])[N:17]([C:18](=[O:19])[O:20][CH2:21][CH2:22][Si:23]([CH3:24])([CH3:25])[CH3:26])[CH2:27]3)[cH:28][cH:29]2)[cH:30][cH:31][cH:32][cH:33]1 BLROYRZABUHRQZ-UHFFFAOYSA-N.FRIVJSODJTULQG-JTQLQIEISA-N>>LSXXJFWSSXUTCP-OZXSUGGESA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5]-[C@;H0;D4;+0:6](-[C:7])(-[OH;D1;+0:8])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7:4]-[C:5]-[C;H0;D3;+0:6](-[C:7])=[O;H0;D1;+0:8] 5c2e731f270aefaf3475ecc1ff0cfc580c3727dfe851dc434ed3b25bdccb4166 Br[c:8]1[cH:7][cH:6][c:5](-[c:4]2[c:3]([CH:2]=[CH2:1])[cH:34][cH:33][c:31]([Cl:32])[cH:30]2)[cH:29][cH:28]1.[C:9]1(=[O:10])[CH2:11][C@@H:12]([C:13](=[O:14])[O:15][CH3:16])[N:17]([C:18](=[O:19])[O:20][CH2:21][CH2:22][Si:23]([CH3:24])([CH3:25])[CH3:26])[CH2:27]1>C1CCOC1.ClCCl.[Mg]>[CH2:1]=[CH:2][c:3]1[c:4](-[c:5]2[cH:6][cH:7][c:8]([C@:9]3([OH:10])[CH2:11][C@@H:12]([C:13](=[O:14])[O:15][CH3:16])[N:17]([C:18](=[O:19])[O:20][CH2:21][CH2:22][Si:23]([CH3:24])([CH3:25])[CH3:26])[CH2:27]3)[cH:28][cH:29]2)[cH:30][c:31]([Cl:32])[cH:33][cH:34]1 FRIVJSODJTULQG-JTQLQIEISA-N.UZUAIABLICGJIB-UHFFFAOYSA-N>>UXLHQFJIEWPKSD-OZXSUGGESA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5]-[C@;H0;D4;+0:6](-[C:7])(-[OH;D1;+0:8])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7:4]-[C:5]-[C;H0;D3;+0:6](-[C:7])=[O;H0;D1;+0:8] 5c2e731f270aefaf3475ecc1ff0cfc580c3727dfe851dc434ed3b25bdccb4166 Br[c:10]1[cH:9][c:8](-[c:7]2[cH:6][cH:5][cH:4][c:3]([CH:2]=[CH2:1])[cH:33]2)[cH:32][cH:31][cH:30]1.[C:11]1(=[O:12])[CH2:13][C@@H:14]([C:15](=[O:16])[O:17][CH3:18])[N:19]([C:20](=[O:21])[O:22][CH2:23][CH2:24][Si:25]([CH3:26])([CH3:27])[CH3:28])[CH2:29]1>C1CCOC1.ClCCl.[Mg]>[CH2:1]=[CH:2][c:3]1[cH:4][cH:5][cH:6][c:7](-[c:8]2[cH:9][c:10]([C@:11]3([OH:12])[CH2:13][C@@H:14]([C:15](=[O:16])[O:17][CH3:18])[N:19]([C:20](=[O:21])[O:22][CH2:23][CH2:24][Si:25]([CH3:26])([CH3:27])[CH3:28])[CH2:29]3)[cH:30][cH:31][cH:32]2)[cH:33]1 FRIVJSODJTULQG-JTQLQIEISA-N.YXZBZZPPFUONFO-UHFFFAOYSA-N>>FXYIXUKAACRMBI-OZXSUGGESA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5]-[C@;H0;D4;+0:6](-[C:7])(-[OH;D1;+0:8])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7:4]-[C:5]-[C;H0;D3;+0:6](-[C:7])=[O;H0;D1;+0:8] 5c2e731f270aefaf3475ecc1ff0cfc580c3727dfe851dc434ed3b25bdccb4166 Br[c:8]1[cH:7][cH:6][c:5](-[c:4]2[c:3]([CH:2]=[CH2:1])[cH:36][c:32]([N:33]([CH3:34])[CH3:35])[cH:31][cH:30]2)[cH:29][cH:28]1.[C:9]1(=[O:10])[CH2:11][C@@H:12]([C:13](=[O:14])[O:15][CH3:16])[N:17]([C:18](=[O:19])[O:20][CH2:21][CH2:22][Si:23]([CH3:24])([CH3:25])[CH3:26])[CH2:27]1>C1CCOC1.ClCCl.[Mg]>[CH2:1]=[CH:2][c:3]1[c:4](-[c:5]2[cH:6][cH:7][c:8]([C@:9]3([OH:10])[CH2:11][C@@H:12]([C:13](=[O:14])[O:15][CH3:16])[N:17]([C:18](=[O:19])[O:20][CH2:21][CH2:22][Si:23]([CH3:24])([CH3:25])[CH3:26])[CH2:27]3)[cH:28][cH:29]2)[cH:30][cH:31][c:32]([N:33]([CH3:34])[CH3:35])[cH:36]1 FRIVJSODJTULQG-JTQLQIEISA-N.QQEKCNSKKCCZBE-UHFFFAOYSA-N>>QKZWHKSTGGYNSU-LSYYVWMOSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5]-[C@;H0;D4;+0:6](-[C:7])(-[OH;D1;+0:8])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7:4]-[C:5]-[C;H0;D3;+0:6](-[C:7])=[O;H0;D1;+0:8] 5c2e731f270aefaf3475ecc1ff0cfc580c3727dfe851dc434ed3b25bdccb4166 [O:1]=[C:2]1[CH2:3][C@@H:4]([c:5]2[cH:6][cH:7][cH:8][cH:9][cH:10]2)[c:11]2[cH:12][cH:13][c:14]([Cl:15])[cH:16][c:17]21>CCO.B.[Na+]>[OH:1][C@H:2]1[CH2:3][C@@H:4]([c:5]2[cH:6][cH:7][cH:8][cH:9][cH:10]2)[c:11]2[cH:12][cH:13][c:14]([Cl:15])[cH:16][c:17]21 RGAOXVRFQQHTQY-ZDUSSCGKSA-N>>NVZAYUDBSXWJKD-ZFWWWQNUSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c Br[CH2:3][CH:2]=[CH2:1].[CH2:4]1[CH2:5][C@H:6]([c:7]2[cH:8][c:9]([Cl:10])[cH:11][cH:12][cH:13]2)[C@@H:14]([c:15]2[cH:16][cH:17][c:18]([Cl:19])[cH:20][cH:21]2)[N:22]([C@@H:23]([CH2:24][CH3:25])[C:26](=[O:27])[O:28][CH2:29][CH3:30])[C:31]1=[O:32]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH2:1]=[CH:2][CH2:3][C@H:4]1[CH2:5][C@H:6]([c:7]2[cH:8][c:9]([Cl:10])[cH:11][cH:12][cH:13]2)[C@@H:14]([c:15]2[cH:16][cH:17][c:18]([Cl:19])[cH:20][cH:21]2)[N:22]([C@@H:23]([CH2:24][CH3:25])[C:26](=[O:27])[O:28][CH2:29][CH3:30])[C:31]1=[O:32] BHELZAPQIKSEDF-UHFFFAOYSA-N.QLMRAJFICQBJAE-RZUBCFFCSA-N>>LBAKOKYYYMHERS-GMHONNGPSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3]>>Br-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3].[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 42181a6356d577596039c200ae5f750211582bc9cf6ade255d2ea9d2dd6ad309 Br[CH2:3][CH:2]=[CH2:1].[CH2:4]1[CH2:5][C@H:6]([c:7]2[cH:8][c:9]([Cl:10])[cH:11][cH:12][cH:13]2)[C@@H:14]([c:15]2[cH:16][cH:17][c:18]([Cl:19])[cH:20][cH:21]2)[N:22]([CH2:23][CH:24]2[CH2:25][CH2:26]2)[C:27]1=[O:28]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH2:1]=[CH:2][CH2:3][C@H:4]1[CH2:5][C@H:6]([c:7]2[cH:8][c:9]([Cl:10])[cH:11][cH:12][cH:13]2)[C@@H:14]([c:15]2[cH:16][cH:17][c:18]([Cl:19])[cH:20][cH:21]2)[N:22]([CH2:23][CH:24]2[CH2:25][CH2:26]2)[C:27]1=[O:28] BHELZAPQIKSEDF-UHFFFAOYSA-N.DPTQNKRWFNZOCQ-TZIWHRDSSA-N>>HYAJCCILTGTYOE-WWPVKYPJSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3]>>Br-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3].[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 42181a6356d577596039c200ae5f750211582bc9cf6ade255d2ea9d2dd6ad309 Br[CH2:3][CH:2]=[CH2:1].[CH2:4]1[CH2:5][C@H:6]([c:7]2[cH:8][c:9]([Cl:10])[cH:11][cH:12][cH:13]2)[C@@H:14]([c:15]2[cH:16][cH:17][c:18]([Cl:19])[cH:20][cH:21]2)[NH:22][C:23]1=[O:24]>C1CCOC1.[Li]CCCC>[CH2:1]=[CH:2][CH2:3][C@@H:4]1[CH2:5][C@H:6]([c:7]2[cH:8][c:9]([Cl:10])[cH:11][cH:12][cH:13]2)[C@@H:14]([c:15]2[cH:16][cH:17][c:18]([Cl:19])[cH:20][cH:21]2)[NH:22][C:23]1=[O:24] BHELZAPQIKSEDF-UHFFFAOYSA-N.KNSOTDNPGSDMLD-NVXWUHKLSA-N>>UNGKOYKRBDBNJK-ATZDWAIDSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@@H;D3;+0:7](-[C:8])-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3]>>Br-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3].[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 33ab82ef5c99f3e34387d3b6e363f0a79dd4e6af47e65d8e6c0b4cf419209900 Br[CH2:3][CH:2]=[CH2:1].[CH2:4]1[CH2:5][C@H:6]([c:7]2[cH:8][c:9]([Cl:10])[cH:11][cH:12][cH:13]2)[C@:14]2([C:15](=[O:16])[N:17]([CH2:18][O:19][CH2:20][CH2:21][Si:22]([CH3:23])([CH3:24])[CH3:25])[c:26]3[cH:27][c:28]([Cl:29])[cH:30][cH:31][c:32]32)[N:33]([CH2:34][CH:35]2[CH2:36][CH2:37]2)[C:38]1=[O:39]>C1CCOC1.CC(C)NC(C)C.[Li+]>[CH2:1]=[CH:2][CH2:3][C@H:4]1[CH2:5][C@H:6]([c:7]2[cH:8][c:9]([Cl:10])[cH:11][cH:12][cH:13]2)[C@:14]2([C:15](=[O:16])[N:17]([CH2:18][O:19][CH2:20][CH2:21][Si:22]([CH3:23])([CH3:24])[CH3:25])[c:26]3[cH:27][c:28]([Cl:29])[cH:30][cH:31][c:32]32)[N:33]([CH2:34][CH:35]2[CH2:36][CH2:37]2)[C:38]1=[O:39] BHELZAPQIKSEDF-UHFFFAOYSA-N.GUAXFKIWJKTYSA-LXFBAYGMSA-N>>DLYPWWHMHVTJRW-PEQYHHCYSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3]>>Br-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3].[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 42181a6356d577596039c200ae5f750211582bc9cf6ade255d2ea9d2dd6ad309 [CH3:1][CH2:2][C@@H:3]([C:4]([CH3:5])=[O:6])[N:7]1[C:8](=[O:9])[C@@:10]([CH3:11])([CH2:12][C:13](=[O:14])[OH:15])[CH2:16][C@H:17]([c:18]2[cH:19][c:20]([Cl:21])[cH:22][cH:23][cH:24]2)[C@H:25]1[c:26]1[cH:27][cH:28][c:29]([Cl:30])[cH:31][cH:32]1>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.[Na+]>[CH3:1][CH2:2][C@@H:3]([C@H:4]([CH3:5])[OH:6])[N:7]1[C:8](=[O:9])[C@@:10]([CH3:11])([CH2:12][C:13](=[O:14])[OH:15])[CH2:16][C@H:17]([c:18]2[cH:19][c:20]([Cl:21])[cH:22][cH:23][cH:24]2)[C@H:25]1[c:26]1[cH:27][cH:28][c:29]([Cl:30])[cH:31][cH:32]1 SFSJJJYPISQXQI-SWXWDQRWSA-N>>YUALYRLIFVPOHL-VPLUBSIMSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C;D1;H3:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][CH2:2][C@H:3]([C:4]([CH3:5])=[O:6])[N:7]1[C:8](=[O:9])[C@@:10]([CH3:11])([CH2:12][C:13](=[O:14])[OH:15])[CH2:16][C@H:17]([c:18]2[cH:19][c:20]([Cl:21])[cH:22][cH:23][cH:24]2)[C@H:25]1[c:26]1[cH:27][cH:28][c:29]([Cl:30])[cH:31][cH:32]1>C1CCOC1.CO.B.Cl.N.[Na+]>[CH3:1][CH2:2][C@H:3]([C@H:4]([CH3:5])[OH:6])[N:7]1[C:8](=[O:9])[C@@:10]([CH3:11])([CH2:12][C:13](=[O:14])[OH:15])[CH2:16][C@H:17]([c:18]2[cH:19][c:20]([Cl:21])[cH:22][cH:23][cH:24]2)[C@H:25]1[c:26]1[cH:27][cH:28][c:29]([Cl:30])[cH:31][cH:32]1 SFSJJJYPISQXQI-AFFJLAOCSA-N>>YUALYRLIFVPOHL-YIRRKNTHSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C;D1;H3:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH2:1]=[CH:2][CH2:3][C@@:4]1([CH3:5])[CH2:6][C@H:7]([c:8]2[cH:9][c:10]([Cl:11])[cH:12][cH:13][cH:14]2)[C@@H:15]([c:16]2[cH:17][cH:18][c:19]([Cl:20])[cH:21][cH:22]2)[N:23]([C@@H:24]([CH2:25][CH3:26])[C:27]([CH3:28])=[O:29])[C:30]1=[O:31]>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.[Li+]>[CH2:1]=[CH:2][CH2:3][C@@:4]1([CH3:5])[CH2:6][C@H:7]([c:8]2[cH:9][c:10]([Cl:11])[cH:12][cH:13][cH:14]2)[C@@H:15]([c:16]2[cH:17][cH:18][c:19]([Cl:20])[cH:21][cH:22]2)[N:23]([C@@H:24]([CH2:25][CH3:26])[C@H:27]([CH3:28])[OH:29])[C:30]1=[O:31] GWDNVVFKKKMZDZ-TWZJLLKVSA-N>>XQOUXFZBLOYUOQ-XSEYPUOTSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C;D1;H3:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 Br[CH2:3][CH:2]=[CH2:1].[CH2:4]1[CH2:5][C@H:6]([c:7]2[cH:8][c:9]([Cl:10])[cH:11][cH:12][cH:13]2)[C@@H:14]([c:15]2[cH:16][cH:17][c:18]([Cl:19])[cH:20][cH:21]2)[N:22]([C@H:23]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH:31]2[CH2:32][CH2:33]2)[C:34]1=[O:35]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH2:1]=[CH:2][CH2:3][C@H:4]1[CH2:5][C@H:6]([c:7]2[cH:8][c:9]([Cl:10])[cH:11][cH:12][cH:13]2)[C@@H:14]([c:15]2[cH:16][cH:17][c:18]([Cl:19])[cH:20][cH:21]2)[N:22]([C@H:23]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH:31]2[CH2:32][CH2:33]2)[C:34]1=[O:35] BHELZAPQIKSEDF-UHFFFAOYSA-N.CCAAIUAULMTJEN-JRFVFWCSSA-N>>IOMQNNCRRAKGAV-WSZJRCBQSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3]>>Br-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3].[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 42181a6356d577596039c200ae5f750211582bc9cf6ade255d2ea9d2dd6ad309 Br[Mg][CH3:29].[CH2:1]=[CH:2][CH2:3][C@@:4]1([CH3:5])[CH2:6][C@H:7]([c:8]2[cH:9][c:10]([Cl:11])[cH:12][cH:13][cH:14]2)[C@@H:15]([c:16]2[cH:17][cH:18][c:19]([Cl:20])[cH:21][cH:22]2)[N:23]([C@@H:24]([CH:25]2[CH2:26][CH2:27]2)[CH:28]=[O:30])[C:31]1=[O:32]>>[CH2:1]=[CH:2][CH2:3][C@@:4]1([CH3:5])[CH2:6][C@H:7]([c:8]2[cH:9][c:10]([Cl:11])[cH:12][cH:13][cH:14]2)[C@@H:15]([c:16]2[cH:17][cH:18][c:19]([Cl:20])[cH:21][cH:22]2)[N:23]([C@@H:24]([CH:25]2[CH2:26][CH2:27]2)[C@H:28]([CH3:29])[OH:30])[C:31]1=[O:32] AVFUHBJCUUTGCD-UHFFFAOYSA-M.GGFIFKULVJMRCW-GWZVJQKXSA-N>>BZXTZXSUMJTTEM-OBYNVBAXSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3](-[CH3;D1;+0:1])-[OH;D1;+0:4]>>Br-[Mg]-[CH3;D1;+0:1].[C:2]-[CH;D2;+0:3]=[O;H0;D1;+0:4] 23ef438432ca637c5b994f16b25a0c8a7bc78da756ca4ad4997985a1b2060894 [CH3:1][C:2](=[O:3])[C@H:4]([CH:5]1[CH2:6][CH2:7]1)[N:8]1[C:9](=[O:10])[C@@:11]([CH3:12])([CH2:13][C:14](=[O:15])[OH:16])[CH2:17][C@H:18]([c:19]2[cH:20][c:21]([Cl:22])[cH:23][cH:24][cH:25]2)[C@H:26]1[c:27]1[cH:28][cH:29][c:30]([Cl:31])[cH:32][cH:33]1>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.[Li+]>[CH3:1][C@H:2]([OH:3])[C@H:4]([CH:5]1[CH2:6][CH2:7]1)[N:8]1[C:9](=[O:10])[C@@:11]([CH3:12])([CH2:13][C:14](=[O:15])[OH:16])[CH2:17][C@H:18]([c:19]2[cH:20][c:21]([Cl:22])[cH:23][cH:24][cH:25]2)[C@H:26]1[c:27]1[cH:28][cH:29][c:30]([Cl:31])[cH:32][cH:33]1 BXCVGSXMLDKLPL-IGGXFAESSA-N>>ODKVMWAWCVLXJM-YNCBHJGCSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C;D1;H3:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 Br[CH2:3][CH:2]=[CH2:1].[CH2:4]1[CH2:5][C@H:6]([c:7]2[cH:8][c:9]([Cl:10])[cH:11][cH:12][cH:13]2)[C@@:14]([CH3:15])([c:16]2[cH:17][cH:18][c:19]([Cl:20])[cH:21][cH:22]2)[N:23]([CH:24]([CH3:25])[CH3:26])[C:27]1=[O:28]>C1CCOC1.[Li]C(C)CC>[CH2:1]=[CH:2][CH2:3][C@@H:4]1[CH2:5][C@H:6]([c:7]2[cH:8][c:9]([Cl:10])[cH:11][cH:12][cH:13]2)[C@@:14]([CH3:15])([c:16]2[cH:17][cH:18][c:19]([Cl:20])[cH:21][cH:22]2)[N:23]([CH:24]([CH3:25])[CH3:26])[C:27]1=[O:28] BHELZAPQIKSEDF-UHFFFAOYSA-N.VVTUYATXEHECKR-TZIWHRDSSA-N>>WBPXQZDNRIZOMB-IHLLOCCUSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@@H;D3;+0:7](-[C:8])-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3]>>Br-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3].[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 33ab82ef5c99f3e34387d3b6e363f0a79dd4e6af47e65d8e6c0b4cf419209900 O=[N+]([O-])c1ccc(S(=O)(=O)O[C@H:11]2[CH2:10][CH2:9][N:8]([C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:36][CH2:35][C@H:13]2[F:12])cc1.[OH:14][c:15]1[c:16]2[n:17][c:18](-[c:19]3[n:20][n:21][c:22]4[cH:23][cH:24][cH:25][cH:26][n:27]34)[cH:28][cH:29][c:30]2[cH:31][c:32]([F:33])[cH:34]1>CC#N.CN(C)C(=NC(C)(C)C)N(C)C.O>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C@@H:11]([F:12])[C@H:13]([O:14][c:15]2[c:16]3[n:17][c:18](-[c:19]4[n:20][n:21][c:22]5[cH:23][cH:24][cH:25][cH:26][n:27]45)[cH:28][cH:29][c:30]3[cH:31][c:32]([F:33])[cH:34]2)[CH2:35][CH2:36]1 PSAWBDIYIVSQKA-UHFFFAOYSA-N.UXRHSQMJBOKUIW-CABCVRRESA-N>>HIDNNZNMFCARNT-UYAOXDASSA-N 0.0 Unrecognized False stereospecific False [#7;a:6]:[c:7]:[c:8]-[O;H0;D2;+0:9]-[C@H;D3;+0:3](-[C:4])-[C@@H;D3;+0:1](-[C:2])-[F;H0;D1;+0:5]>>O=[N+](-[O-])-c1:c:c:c(-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C@@H;D3;+0:3](-[C:4])-[F;H0;D1;+0:5]):c:c:1.[#7;a:6]:[c:7]:[c:8]-[OH;D1;+0:9] 35679ef3824fe48b583a2ecc8a8026be175765d96ea46e46bbd2b8b78bf08260 O=[N+]([O-])c1ccc(S(=O)(=O)O[C@H:11]2[CH2:10][CH2:9][N:8]([C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:38][CH2:37][C@H:13]2[F:12])cc1.[OH:14][c:15]1[c:16]2[n:17][c:18](-[c:19]3[n:20][n:21][c:22]4[cH:23][cH:24][c:25]([CH:26]5[CH2:27][CH2:28]5)[cH:29][n:30]34)[cH:31][cH:32][c:33]2[cH:34][cH:35][cH:36]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C@@H:11]([F:12])[C@H:13]([O:14][c:15]2[c:16]3[n:17][c:18](-[c:19]4[n:20][n:21][c:22]5[cH:23][cH:24][c:25]([CH:26]6[CH2:27][CH2:28]6)[cH:29][n:30]45)[cH:31][cH:32][c:33]3[cH:34][cH:35][cH:36]2)[CH2:37][CH2:38]1 UTZWPFHNORHYNL-UHFFFAOYSA-N.UXRHSQMJBOKUIW-CABCVRRESA-N>>WUIAZSPGJCOEIK-FYYLOGMGSA-N 0.0 Unrecognized False stereospecific False [#7;a:6]:[c:7]:[c:8]-[O;H0;D2;+0:9]-[C@H;D3;+0:3](-[C:4])-[C@@H;D3;+0:1](-[C:2])-[F;H0;D1;+0:5]>>O=[N+](-[O-])-c1:c:c:c(-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C@@H;D3;+0:3](-[C:4])-[F;H0;D1;+0:5]):c:c:1.[#7;a:6]:[c:7]:[c:8]-[OH;D1;+0:9] 35679ef3824fe48b583a2ecc8a8026be175765d96ea46e46bbd2b8b78bf08260 O=[N+]([O-])c1ccc(S(=O)(=O)O[C@H:11]2[CH2:10][CH2:9][N:8]([C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:37][CH2:36][C@H:13]2[F:12])cc1.[OH:14][c:15]1[c:16]2[n:17][c:18](-[c:19]3[n:20][n:21][c:22]4[cH:23][cH:24][c:25]([C:26]#[N:27])[cH:28][n:29]34)[cH:30][cH:31][c:32]2[cH:33][cH:34][cH:35]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C@@H:11]([F:12])[C@H:13]([O:14][c:15]2[c:16]3[n:17][c:18](-[c:19]4[n:20][n:21][c:22]5[cH:23][cH:24][c:25]([C:26]#[N:27])[cH:28][n:29]45)[cH:30][cH:31][c:32]3[cH:33][cH:34][cH:35]2)[CH2:36][CH2:37]1 FSWGOEPZGOKDDD-UHFFFAOYSA-N.UXRHSQMJBOKUIW-CABCVRRESA-N>>ABUUYZYQZLDMRQ-TZIWHRDSSA-N 0.0 Unrecognized False stereospecific False [#7;a:6]:[c:7]:[c:8]-[O;H0;D2;+0:9]-[C@H;D3;+0:3](-[C:4])-[C@@H;D3;+0:1](-[C:2])-[F;H0;D1;+0:5]>>O=[N+](-[O-])-c1:c:c:c(-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C@@H;D3;+0:3](-[C:4])-[F;H0;D1;+0:5]):c:c:1.[#7;a:6]:[c:7]:[c:8]-[OH;D1;+0:9] 35679ef3824fe48b583a2ecc8a8026be175765d96ea46e46bbd2b8b78bf08260 Br[c:12]1[cH:13][c:14]([CH:15]2[CH2:16][CH2:17]2)[cH:18][cH:19][cH:20]1.[N:1]#[C:2][c:3]1[cH:4][c:5]([F:6])[c:7]([C@H:8]2[CH2:9][C:10](=[O:11])[c:21]3[cH:22][n:23][cH:24][n:25]32)[cH:26][cH:27]1>C1CCOC1.[Li]C(C)(C)C>[N:1]#[C:2][c:3]1[cH:4][c:5]([F:6])[c:7]([C@H:8]2[CH2:9][C@:10]([OH:11])([c:12]3[cH:13][c:14]([CH:15]4[CH2:16][CH2:17]4)[cH:18][cH:19][cH:20]3)[c:21]3[cH:22][n:23][cH:24][n:25]32)[cH:26][cH:27]1 BCBNVQYWODLZSI-UHFFFAOYSA-N.YUYCQNWKHBPOCS-LLVKDONJSA-N>>CQNPFENUSLWCAU-IRLDBZIGSA-N 0.0 Unrecognized False substrate controlled False [#7;a:4]:[c:5]:[c:6](:[#7;a:7])-[C@@;H0;D4;+0:8](-[C:9])(-[OH;D1;+0:10])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7;a:4]:[c:5]:[c:6](:[#7;a:7])-[C;H0;D3;+0:8](-[C:9])=[O;H0;D1;+0:10] de3be1a222464ed0f086e73868bfb933f95a1aff2183d8df11c179ffee07e830 Br[c:6]1[cH:5][c:3]([CH3:4])[c:2]([CH3:1])[cH:26][cH:25]1.[C:7]1(=[O:8])[CH2:9][C@H:10]([c:11]2[c:12]([F:13])[cH:14][c:15]([C:16]#[N:17])[cH:18][cH:19]2)[n:20]2[cH:21][n:22][cH:23][c:24]21>C1CCCCC1.C1CCOC1.[Li]C(C)CC>[CH3:1][c:2]1[c:3]([CH3:4])[cH:5][c:6]([C@@:7]2([OH:8])[CH2:9][C@H:10]([c:11]3[c:12]([F:13])[cH:14][c:15]([C:16]#[N:17])[cH:18][cH:19]3)[n:20]3[cH:21][n:22][cH:23][c:24]32)[cH:25][cH:26]1 QOGHRLGTXVMRLM-UHFFFAOYSA-N.YUYCQNWKHBPOCS-LLVKDONJSA-N>>ORIWLSDASPLUKR-CTNGQTDRSA-N 0.0 Unrecognized False substrate controlled False [#7;a:4]:[c:5](:[c:6]:[#7;a:7])-[C@@;H0;D4;+0:8](-[C:9])(-[OH;D1;+0:10])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7;a:4]:[c:5](:[c:6]:[#7;a:7])-[C;H0;D3;+0:8](-[C:9])=[O;H0;D1;+0:10] de3be1a222464ed0f086e73868bfb933f95a1aff2183d8df11c179ffee07e830 Br[c:12]1[cH:13][cH:14][c:15]([O:16][C:17]([F:18])([F:19])[F:20])[cH:21][cH:22]1.[N:1]#[C:2][c:3]1[cH:4][c:5]([F:6])[c:7]([C@H:8]2[CH2:9][C:10](=[O:11])[c:23]3[cH:24][n:25][cH:26][n:27]32)[cH:28][cH:29]1>C1CCOC1.CC(C)=O.CCCCCC.O=C=O.[Li]CCCC>[N:1]#[C:2][c:3]1[cH:4][c:5]([F:6])[c:7]([C@H:8]2[CH2:9][C@:10]([OH:11])([c:12]3[cH:13][cH:14][c:15]([O:16][C:17]([F:18])([F:19])[F:20])[cH:21][cH:22]3)[c:23]3[cH:24][n:25][cH:26][n:27]32)[cH:28][cH:29]1 SEAOBYFQWJFORM-UHFFFAOYSA-N.YUYCQNWKHBPOCS-LLVKDONJSA-N>>SURIGZFLDMAYSP-MJGOQNOKSA-N 0.0 Unrecognized False substrate controlled False [#7;a:4]:[c:5]:[c:6](:[#7;a:7])-[C@@;H0;D4;+0:8](-[C:9])(-[OH;D1;+0:10])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7;a:4]:[c:5]:[c:6](:[#7;a:7])-[C;H0;D3;+0:8](-[C:9])=[O;H0;D1;+0:10] de3be1a222464ed0f086e73868bfb933f95a1aff2183d8df11c179ffee07e830 O=C(O)[C@@H:10]1[CH2:9][N:8]([C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:20][C@H:12]1[c:13]1[n:14][cH:15][c:16]([F:17])[cH:18][cH:19]1.[N-]=[N+]=[N:11]P(=O)(c1ccccc1)c1ccccc1>CCN(CC)CC.Cc1ccccc1.[Na+].O>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C@@H:10]([NH2:11])[C@H:12]([c:13]2[n:14][cH:15][c:16]([F:17])[cH:18][cH:19]2)[CH2:20]1 LWBQIDDNLFBKDX-GHMZBOCLSA-N.MKRTXPORKIRPDG-UHFFFAOYSA-N>>DZEATTAONFQEMS-GHMZBOCLSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[NH2;D1;+0:5]>>O-C(=O)-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].O=P(-[N;H0;D2;+0:5]=[N+]=[N-])(-c1:c:c:c:c:c:1)-c1:c:c:c:c:c:1 11a2f26fc0cafb5e8dcde0c3fb722477ac755240c9ffc84bb2db51212ab6ebc0 [O:1]=[C:2]([CH2:3][Cl:4])[c:5]1[cH:6][cH:7][c:8]([F:9])[cH:10][cH:11]1>B.C1CCOC1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12>[OH:1][C@@H:2]([CH2:3][Cl:4])[c:5]1[cH:6][cH:7][c:8]([F:9])[cH:10][cH:11]1 UJZWJOQRSMOFMA-UHFFFAOYSA-N>>VTCREIYEGAGUDS-QMMMGPOBSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH2:1]=[C:2]([CH3:3])[C:4](=[O:5])[C@H:6]([CH2:7][c:8]1[cH:9][cH:10][c:11]([NH:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:20][cH:21]1)[NH:22][C:23](=[O:24])[O:25][CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1>CCOC(C)=O.ClC(Cl)Cl>[CH2:1]=[C:2]([CH3:3])[C@@H:4]([OH:5])[C@H:6]([CH2:7][c:8]1[cH:9][cH:10][c:11]([NH:12][C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:20][cH:21]1)[NH:22][C:23](=[O:24])[O:25][CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1 USFKMCNFPHQPRC-NRFANRHFSA-N>>HJEHEZDDTZMIAY-FCHUYYIVSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]=[C;D1;H2:5]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]=[C;D1;H2:5] 30b58d787d9916ad48be3323fde35e4d1c60b573ffde717577d2f36c035f619a O[C@@H:22]([CH3:23])[c:24]1[cH:25][cH:26][c:27]([F:28])[cH:29][cH:30]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH3:7])[n:8][c:9]2[c:10]([c:11]1-[c:12]1[cH:13][cH:14][c:15]([CH3:16])[cH:17][cH:18]1)[cH:19][cH:20][nH:21]2>C1CCOC1.CC(C)OC(=O)/N=N/C(=O)OC(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH3:7])[n:8][c:9]2[c:10]([c:11]1-[c:12]1[cH:13][cH:14][c:15]([CH3:16])[cH:17][cH:18]1)[cH:19][cH:20][n:21]2[C@H:22]([CH3:23])[c:24]1[cH:25][cH:26][c:27]([F:28])[cH:29][cH:30]1 PJNYOLSWPXFEID-UHFFFAOYSA-N.PSDSORRYQPTKSV-LURJTMIESA-N>>YTOTUTIOULUJHV-QGZVFWFLSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[n;H0;D3;+0:6](:[c:7])-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3].[#7;a:4]:[c:5]:[nH;D2;+0:6]:[c:7] 5bbd056119f6393d3f09c4f1eb8120cf9dbef9d7ccf69627f11d995c800fd3e9 [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[c:8]([CH3:9])[n:10][c:11]2[c:12]([c:13]1[I:14])[cH:15][cH:16][n:17]2[CH2:18][c:19]1[c:20]([F:21])[c:22]([F:23])[cH:24][cH:25][cH:26]1>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCO.CCOC(C)=O.Cc1ccccc1.O.O.O=C(O)O.O=C=O.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([OH:6])[c:7]1[c:8]([CH3:9])[n:10][c:11]2[c:12]([c:13]1[I:14])[cH:15][cH:16][n:17]2[CH2:18][c:19]1[c:20]([F:21])[c:22]([F:23])[cH:24][cH:25][cH:26]1 WNQCTNPSIUVAQZ-UHFFFAOYSA-N>>DUJKYTFAGVBOLY-INIZCTEOSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C;D1;H3:9]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C;D1;H3:9] 25f40063a622448f2328474fbc08d9bc9d8a2a737292a1421931f3a068ce9d2a [O:1]=[C:2]([CH2:3][Cl:4])[c:5]1[cH:6][cH:7][c:8]([F:9])[cH:10][cH:11]1>B.C1CCOC1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12>[OH:1][C@@H:2]([CH2:3][Cl:4])[c:5]1[cH:6][cH:7][c:8]([F:9])[cH:10][cH:11]1 UJZWJOQRSMOFMA-UHFFFAOYSA-N>>VTCREIYEGAGUDS-QMMMGPOBSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[c:8]([CH3:9])[n:10][c:11]2[c:12]([c:13]1[I:14])[cH:15][cH:16][n:17]2[CH2:18][c:19]1[c:20]([F:21])[c:22]([F:23])[cH:24][cH:25][cH:26]1>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCO.CCOC(C)=O.Cc1ccccc1.O.O.O=C(O)O.O=C=O.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([OH:6])[c:7]1[c:8]([CH3:9])[n:10][c:11]2[c:12]([c:13]1[I:14])[cH:15][cH:16][n:17]2[CH2:18][c:19]1[c:20]([F:21])[c:22]([F:23])[cH:24][cH:25][cH:26]1 WNQCTNPSIUVAQZ-UHFFFAOYSA-N>>DUJKYTFAGVBOLY-INIZCTEOSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C;D1;H3:9]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C;D1;H3:9] f9603bb709a7c0e3aaaf72cc577b916cab7c3c32ccc7856e4656faff1d495ff4 Br[c:16]1[cH:15][cH:14][c:12]([Cl:13])[c:11]([CH2:10][c:9]2[c:7]([F:8])[c:5]([F:6])[c:4]([O:3][CH2:2][CH3:1])[cH:32][cH:31]2)[cH:30]1.C[Si](C)(C)[O:23][CH2:22][C@H:21]1[O:20][C:17](=[O:18])[C@H:28]([O:29][Si](C)(C)C)[C@@H:26]([O:27][Si](C)(C)C)[C@@H:24]1[O:25][Si](C)(C)C.O[CH3:19]>C1CCOC1.CCCCCC.CS(=O)(=O)O.[Li]CCCC>[CH3:1][CH2:2][O:3][c:4]1[c:5]([F:6])[c:7]([F:8])[c:9]([CH2:10][c:11]2[c:12]([Cl:13])[cH:14][cH:15][c:16]([C@:17]3([O:18][CH3:19])[O:20][C@H:21]([CH2:22][OH:23])[C@@H:24]([OH:25])[C@H:26]([OH:27])[C@H:28]3[OH:29])[cH:30]2)[cH:31][cH:32]1 GMMNZXZMQUIXDM-UHFFFAOYSA-N.OKKJLVBELUTLKV-UHFFFAOYSA-N.VNGTZLYNGGLPIZ-WCXIOVBPSA-N>>WHTPOMMKRIEVQY-OSKXVONFSA-N 0.0 Unrecognized False substrate controlled False [CH3;D1;+0:16]-[O;H0;D2;+0:9]-[C@@;H0;D4;+0:8]1(-[c;H0;D3;+0:1](:[c:2]):[c:3])-[#8:7]-[C:6](-[C:5]-[OH;D1;+0:4])-[C:14](-[OH;D1;+0:15])-[C:12](-[OH;D1;+0:13])-[C:10]-1-[OH;D1;+0:11]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].C-[Si](-C)(-C)-[O;H0;D2;+0:4]-[C:5]-[C:6]1-[#8:7]-[C;H0;D3;+0:8](=[O;H0;D1;+0:9])-[C:10](-[O;H0;D2;+0:11]-[Si](-C)(-C)-C)-[C:12](-[O;H0;D2;+0:13]-[Si](-C)(-C)-C)-[C:14]-1-[O;H0;D2;+0:15]-[Si](-C)(-C)-C.O-[CH3;D1;+0:16] ac05ea797ad41533087f2d9c8a06f3e41b0cb785a4c4402dc43b39330b7bcb43 Br[c:15]1[cH:14][cH:13][c:11]([Cl:12])[c:10]([CH2:9][c:8]2[cH:7][c:5]([F:6])[c:4]([O:3][CH2:2][CH3:1])[cH:31][cH:30]2)[cH:29]1.C[Si](C)(C)[O:22][CH2:21][C@H:20]1[O:19][C:16](=[O:17])[C@H:27]([O:28][Si](C)(C)C)[C@@H:25]([O:26][Si](C)(C)C)[C@@H:23]1[O:24][Si](C)(C)C.O[CH3:18]>C1CCOC1.CCCCCC.CS(=O)(=O)O.[Li]CCCC>[CH3:1][CH2:2][O:3][c:4]1[c:5]([F:6])[cH:7][c:8]([CH2:9][c:10]2[c:11]([Cl:12])[cH:13][cH:14][c:15]([C@:16]3([O:17][CH3:18])[O:19][C@H:20]([CH2:21][OH:22])[C@@H:23]([OH:24])[C@H:25]([OH:26])[C@H:27]3[OH:28])[cH:29]2)[cH:30][cH:31]1 ABWOXAUTADIJBN-UHFFFAOYSA-N.OKKJLVBELUTLKV-UHFFFAOYSA-N.VNGTZLYNGGLPIZ-WCXIOVBPSA-N>>UJJKRWVWMRGPGZ-BDHVOXNPSA-N 0.0 Unrecognized False substrate controlled False [CH3;D1;+0:16]-[O;H0;D2;+0:9]-[C@@;H0;D4;+0:8]1(-[c;H0;D3;+0:1](:[c:2]):[c:3])-[#8:7]-[C:6](-[C:5]-[OH;D1;+0:4])-[C:14](-[OH;D1;+0:15])-[C:12](-[OH;D1;+0:13])-[C:10]-1-[OH;D1;+0:11]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].C-[Si](-C)(-C)-[O;H0;D2;+0:4]-[C:5]-[C:6]1-[#8:7]-[C;H0;D3;+0:8](=[O;H0;D1;+0:9])-[C:10](-[O;H0;D2;+0:11]-[Si](-C)(-C)-C)-[C:12](-[O;H0;D2;+0:13]-[Si](-C)(-C)-C)-[C:14]-1-[O;H0;D2;+0:15]-[Si](-C)(-C)-C.O-[CH3;D1;+0:16] ac05ea797ad41533087f2d9c8a06f3e41b0cb785a4c4402dc43b39330b7bcb43 Br[c:4]1[cH:5][c:6]([CH2:7][c:8]2[cH:9][c:10]3[c:11]([cH:12][cH:13]2)[O:14][CH2:15][CH2:16]3)[c:17]([Cl:18])[cH:19][cH:20]1.C[Si](C)(C)[O:24][CH2:23][C@H:22]1[O:21][C:3](=O)[C@H:29]([O:30][Si](C)(C)C)[C@@H:27]([O:28][Si](C)(C)C)[C@@H:25]1[O:26][Si](C)(C)C.[CH3:1][OH:2]>CCCCCC.CS(=O)(=O)O.Cc1ccccc1.[Li]CCCC>[CH3:1][O:2][C@@:3]1([c:4]2[cH:5][c:6]([CH2:7][c:8]3[cH:9][c:10]4[c:11]([cH:12][cH:13]3)[O:14][CH2:15][CH2:16]4)[c:17]([Cl:18])[cH:19][cH:20]2)[O:21][C@H:22]([CH2:23][OH:24])[C@@H:25]([OH:26])[C@H:27]([OH:28])[C@H:29]1[OH:30] OKKJLVBELUTLKV-UHFFFAOYSA-N.VNGTZLYNGGLPIZ-WCXIOVBPSA-N.YEWZKUKCZHEMSI-UHFFFAOYSA-N>>FEHURXGLDTZTGZ-BDHVOXNPSA-N 0.0 Unrecognized False substrate controlled False [C;D1;H3:15]-[O;H0;D2;+0:16]-[C@@;H0;D4;+0:8]1(-[c;H0;D3;+0:1](:[c:2]):[c:3])-[#8:7]-[C:6](-[C:5]-[OH;D1;+0:4])-[C:13](-[OH;D1;+0:14])-[C:11](-[OH;D1;+0:12])-[C:9]-1-[OH;D1;+0:10]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].C-[Si](-C)(-C)-[O;H0;D2;+0:4]-[C:5]-[C:6]1-[#8:7]-[C;H0;D3;+0:8](=O)-[C:9](-[O;H0;D2;+0:10]-[Si](-C)(-C)-C)-[C:11](-[O;H0;D2;+0:12]-[Si](-C)(-C)-C)-[C:13]-1-[O;H0;D2;+0:14]-[Si](-C)(-C)-C.[C;D1;H3:15]-[OH;D1;+0:16] ac05ea797ad41533087f2d9c8a06f3e41b0cb785a4c4402dc43b39330b7bcb43 Br[c:4]1[cH:5][c:6]([CH2:7][c:8]2[cH:9][cH:10][c:11]([O:12][C:13]([F:14])([F:15])[F:16])[cH:17][cH:18]2)[c:19]([Cl:20])[cH:21][cH:22]1.C[Si](C)(C)[O:26][CH2:25][C@H:24]1[O:23][C:3](=O)[C@H:31]([O:32][Si](C)(C)C)[C@@H:29]([O:30][Si](C)(C)C)[C@@H:27]1[O:28][Si](C)(C)C.[CH3:1][OH:2]>C1CCOC1.CCCCCC.CS(=O)(=O)O.[Li]CCCC>[CH3:1][O:2][C@@:3]1([c:4]2[cH:5][c:6]([CH2:7][c:8]3[cH:9][cH:10][c:11]([O:12][C:13]([F:14])([F:15])[F:16])[cH:17][cH:18]3)[c:19]([Cl:20])[cH:21][cH:22]2)[O:23][C@H:24]([CH2:25][OH:26])[C@@H:27]([OH:28])[C@H:29]([OH:30])[C@H:31]1[OH:32] OKKJLVBELUTLKV-UHFFFAOYSA-N.VNGTZLYNGGLPIZ-WCXIOVBPSA-N.ZDKHNIYNAYJURM-UHFFFAOYSA-N>>ONHNVNKGGXYHJV-OBKDMQGPSA-N 0.0 Unrecognized False substrate controlled False [C;D1;H3:15]-[O;H0;D2;+0:16]-[C@@;H0;D4;+0:8]1(-[c;H0;D3;+0:1](:[c:2]):[c:3])-[#8:7]-[C:6](-[C:5]-[OH;D1;+0:4])-[C:13](-[OH;D1;+0:14])-[C:11](-[OH;D1;+0:12])-[C:9]-1-[OH;D1;+0:10]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].C-[Si](-C)(-C)-[O;H0;D2;+0:4]-[C:5]-[C:6]1-[#8:7]-[C;H0;D3;+0:8](=O)-[C:9](-[O;H0;D2;+0:10]-[Si](-C)(-C)-C)-[C:11](-[O;H0;D2;+0:12]-[Si](-C)(-C)-C)-[C:13]-1-[O;H0;D2;+0:14]-[Si](-C)(-C)-C.[C;D1;H3:15]-[OH;D1;+0:16] ac05ea797ad41533087f2d9c8a06f3e41b0cb785a4c4402dc43b39330b7bcb43 Br[c:4]1[cH:5][c:6]([CH2:7][c:8]2[cH:9][cH:10][c:11]([O:12][CH2:13][C:14]([F:15])([F:16])[F:17])[cH:18][cH:19]2)[c:20]([Cl:21])[cH:22][cH:23]1.C[Si](C)(C)[O:27][CH2:26][C@H:25]1[O:24][C:3](=O)[C@H:32]([O:33][Si](C)(C)C)[C@@H:30]([O:31][Si](C)(C)C)[C@@H:28]1[O:29][Si](C)(C)C.[CH3:1][OH:2]>CCCCCC.CS(=O)(=O)O.[Li]CCCC>[CH3:1][O:2][C@@:3]1([c:4]2[cH:5][c:6]([CH2:7][c:8]3[cH:9][cH:10][c:11]([O:12][CH2:13][C:14]([F:15])([F:16])[F:17])[cH:18][cH:19]3)[c:20]([Cl:21])[cH:22][cH:23]2)[O:24][C@H:25]([CH2:26][OH:27])[C@@H:28]([OH:29])[C@H:30]([OH:31])[C@H:32]1[OH:33] OKKJLVBELUTLKV-UHFFFAOYSA-N.UQQPCVZSHCSXAT-UHFFFAOYSA-N.VNGTZLYNGGLPIZ-WCXIOVBPSA-N>>GRXMAXCVDDGQLV-JPVHLGFFSA-N 0.0 Unrecognized False substrate controlled False [C;D1;H3:15]-[O;H0;D2;+0:16]-[C@@;H0;D4;+0:8]1(-[c;H0;D3;+0:1](:[c:2]):[c:3])-[#8:7]-[C:6](-[C:5]-[OH;D1;+0:4])-[C:13](-[OH;D1;+0:14])-[C:11](-[OH;D1;+0:12])-[C:9]-1-[OH;D1;+0:10]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].C-[Si](-C)(-C)-[O;H0;D2;+0:4]-[C:5]-[C:6]1-[#8:7]-[C;H0;D3;+0:8](=O)-[C:9](-[O;H0;D2;+0:10]-[Si](-C)(-C)-C)-[C:11](-[O;H0;D2;+0:12]-[Si](-C)(-C)-C)-[C:13]-1-[O;H0;D2;+0:14]-[Si](-C)(-C)-C.[C;D1;H3:15]-[OH;D1;+0:16] ac05ea797ad41533087f2d9c8a06f3e41b0cb785a4c4402dc43b39330b7bcb43 Br[c:4]1[cH:5][c:6]([CH2:7][c:8]2[cH:9][cH:10][c:11]([O:12][CH2:13][CH:14]([F:15])[F:16])[cH:17][cH:18]2)[c:19]([Cl:20])[cH:21][cH:22]1.C[Si](C)(C)[O:26][CH2:25][C@H:24]1[O:23][C:3](=O)[C@H:31]([O:32][Si](C)(C)C)[C@@H:29]([O:30][Si](C)(C)C)[C@@H:27]1[O:28][Si](C)(C)C.[CH3:1][OH:2]>CCCCCC.COC(C)(C)C.CS(=O)(=O)O.O=C(O)O.[Li]CCCC.[Na+]>[CH3:1][O:2][C@@:3]1([c:4]2[cH:5][c:6]([CH2:7][c:8]3[cH:9][cH:10][c:11]([O:12][CH2:13][CH:14]([F:15])[F:16])[cH:17][cH:18]3)[c:19]([Cl:20])[cH:21][cH:22]2)[O:23][C@H:24]([CH2:25][OH:26])[C@@H:27]([OH:28])[C@H:29]([OH:30])[C@H:31]1[OH:32] OKKJLVBELUTLKV-UHFFFAOYSA-N.RXWWLXYBRSNHSH-UHFFFAOYSA-N.VNGTZLYNGGLPIZ-WCXIOVBPSA-N>>PQJOOIIEOKIRNE-VOFPXKNKSA-N 0.0 Unrecognized False substrate controlled False [C;D1;H3:15]-[O;H0;D2;+0:16]-[C@@;H0;D4;+0:8]1(-[c;H0;D3;+0:1](:[c:2]):[c:3])-[#8:7]-[C:6](-[C:5]-[OH;D1;+0:4])-[C:13](-[OH;D1;+0:14])-[C:11](-[OH;D1;+0:12])-[C:9]-1-[OH;D1;+0:10]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].C-[Si](-C)(-C)-[O;H0;D2;+0:4]-[C:5]-[C:6]1-[#8:7]-[C;H0;D3;+0:8](=O)-[C:9](-[O;H0;D2;+0:10]-[Si](-C)(-C)-C)-[C:11](-[O;H0;D2;+0:12]-[Si](-C)(-C)-C)-[C:13]-1-[O;H0;D2;+0:14]-[Si](-C)(-C)-C.[C;D1;H3:15]-[OH;D1;+0:16] ac05ea797ad41533087f2d9c8a06f3e41b0cb785a4c4402dc43b39330b7bcb43 [O:1]=[C:2]1[CH2:3][CH2:4][c:5]2[cH:6][c:7]([Br:8])[cH:9][cH:10][c:11]21>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCCCCC.CSC.ClC(Cl)Cl>[OH:1][C@H:2]1[CH2:3][CH2:4][c:5]2[cH:6][c:7]([Br:8])[cH:9][cH:10][c:11]21 KSONICAHAPRCMV-UHFFFAOYSA-N>>DRXIUUZVRAOHBS-VIFPVBQESA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [O:1]=[C:2]1[CH2:3][CH2:4][c:5]2[cH:6][c:7]([Br:8])[cH:9][cH:10][c:11]21>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCCCCC.CSC.ClC(Cl)Cl>[OH:1][C@H:2]1[CH2:3][CH2:4][c:5]2[cH:6][c:7]([Br:8])[cH:9][cH:10][c:11]21 KSONICAHAPRCMV-UHFFFAOYSA-N>>DRXIUUZVRAOHBS-VIFPVBQESA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 Br[CH2:3][CH:2]=[CH2:1].[CH2:4]1[C:5](=[O:6])[N:7]([C@H:8]([CH3:9])[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:16][C@H:17]1[CH2:18][O:19][Si:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[CH3:26]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH2:1]=[CH:2][CH2:3][C@@H:4]1[C:5](=[O:6])[N:7]([C@H:8]([CH3:9])[c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:16][C@H:17]1[CH2:18][O:19][Si:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[CH3:26] BHELZAPQIKSEDF-UHFFFAOYSA-N.LFHLOTVETWRMTA-CVEARBPZSA-N>>RPDTZFQVSWIFNQ-HOJAQTOUSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3]>>Br-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3].[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 42181a6356d577596039c200ae5f750211582bc9cf6ade255d2ea9d2dd6ad309 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@:9]1([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[C@H:17]([CH2:18][S:19][c:20]2[cH:21][c:22]([F:23])[c:24]([F:25])[cH:26][cH:27]2)[C:28](=[O:29])[C@@H:30]2[C@H:31]1[C@H:32]2[C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39]>B.CCOCC.CSC>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@:9]1([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[C@H:17]([CH2:18][S:19][c:20]2[cH:21][c:22]([F:23])[c:24]([F:25])[cH:26][cH:27]2)[C@@H:28]([OH:29])[C@@H:30]2[C@H:31]1[C@H:32]2[C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39] QEOSOCKOMNVDJG-HTBNZKDTSA-N>>HZVLDGPJLDOAFV-OVYMXLFDSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH2:9][C@H:10]1[O:11][CH2:12][C@H:13]([N:14]=[N+:15]=[N-:16])[CH2:17][C:18]1=[O:19]>C1CCOC1.C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.Cl.[Li+]>[CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH2:9][C@H:10]1[O:11][CH2:12][C@H:13]([N:14]=[N+:15]=[N-:16])[CH2:17][C@H:18]1[OH:19] GEAQJXSTCCFJQM-MWLCHTKSSA-N>>UHJXEKBXKDDZPQ-GMTAPVOTSA-N 0.0 Unrecognized False substrate controlled False [#8:1]-[C:2]-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#8:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 1916be9ef8bda8c20f0bed2e6fd545bbb800c548e04828ab535e0fdf6488907c O[C@H:14]1[CH2:15][CH2:16][c:17]2[c:18]([Br:19])[cH:20][cH:21][c:22]([F:23])[c:24]21.[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]1[CH2:7][C@@H:8]1[c:9]1[cH:10][cH:11][c:12]([OH:13])[cH:25][cH:26]1>C1CCOC1.CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]1[CH2:7][C@@H:8]1[c:9]1[cH:10][cH:11][c:12]([O:13][C@@H:14]2[CH2:15][CH2:16][c:17]3[c:18]([Br:19])[cH:20][cH:21][c:22]([F:23])[c:24]32)[cH:25][cH:26]1 LUQBNOJILQNJMS-MNOVXSKESA-N.NLVVNRITLSLCDP-QMMMGPOBSA-N>>DTGUGHONTYLLHM-JTDSTZFVSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de CS(=O)(=O)O[C@H:6]1[CH2:7][CH2:8][N:9]([S:10]([CH3:11])(=[O:12])=[O:13])[CH2:14]1.[CH3:1][c:2]1[cH:3][c:4]([OH:5])[cH:15][c:16]([CH3:17])[c:18]1[Br:19]>>[CH3:1][c:2]1[cH:3][c:4]([O:5][C@@H:6]2[CH2:7][CH2:8][N:9]([S:10]([CH3:11])(=[O:12])=[O:13])[CH2:14]2)[cH:15][c:16]([CH3:17])[c:18]1[Br:19] OVXKTWMUCRETTD-LURJTMIESA-N.WMUWDPLTTLJNPE-UHFFFAOYSA-N>>PILQQQOYDGGGTE-LLVKDONJSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:5]-[c:6]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[OH;D1;+0:5]-[c:6] 19a4b42d8caf5b0d7d6ea0f94ee317486f2e3e5dc9494a71c172404a23cb03ec [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[c:8]([Cl:9])[n:10]2[n:11][c:12](-[c:13]3[cH:14][c:15]([Cl:16])[cH:17][cH:18][cH:19]3)[cH:20][c:21]2[n:22][c:23]1[CH3:24]>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CC#N.Cc1ccccc1.Cc1ccccc1.O=C(O)O.O=C=O.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([OH:6])[c:7]1[c:8]([Cl:9])[n:10]2[n:11][c:12](-[c:13]3[cH:14][c:15]([Cl:16])[cH:17][cH:18][cH:19]3)[cH:20][c:21]2[n:22][c:23]1[CH3:24] QWIYBFSBPHXDJJ-UHFFFAOYSA-N>>UZRPAFDGNZQAAG-AWEZNQCLSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11] 7b5a89e5196706e8b7669458c5c57ac70c4458d0ba4074de954289e1a1ec33e0 [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[c:8]([CH:9]([CH3:10])[CH3:11])[n:12]2[n:13][c:14](-[c:15]3[cH:16][c:17]([Cl:18])[cH:19][cH:20][cH:21]3)[cH:22][c:23]2[n:24][c:25]1[CH3:26]>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([OH:6])[c:7]1[c:8]([CH:9]([CH3:10])[CH3:11])[n:12]2[n:13][c:14](-[c:15]3[cH:16][c:17]([Cl:18])[cH:19][cH:20][cH:21]3)[cH:22][c:23]2[n:24][c:25]1[CH3:26] IGKCVCBLXPESIM-UHFFFAOYSA-N>>ULIBRVXPIOCHRL-SFHVURJKSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11] 7b5a89e5196706e8b7669458c5c57ac70c4458d0ba4074de954289e1a1ec33e0 [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[c:8]([CH2:9][CH:10]([CH3:11])[CH3:12])[n:13]2[n:14][c:15](-[c:16]3[cH:17][c:18]([Cl:19])[cH:20][cH:21][cH:22]3)[cH:23][c:24]2[n:25][c:26]1[CH3:27]>B1Oc2ccccc2O1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([OH:6])[c:7]1[c:8]([CH2:9][CH:10]([CH3:11])[CH3:12])[n:13]2[n:14][c:15](-[c:16]3[cH:17][c:18]([Cl:19])[cH:20][cH:21][cH:22]3)[cH:23][c:24]2[n:25][c:26]1[CH3:27] LVSQGISOGWIYHT-UHFFFAOYSA-N>>CNLXQWJOQCKIMU-IBGZPJMESA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11] 7b5a89e5196706e8b7669458c5c57ac70c4458d0ba4074de954289e1a1ec33e0 [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[c:8](-[c:9]2[cH:10][cH:11][c:12]([F:13])[cH:14][cH:15]2)[n:16]2[n:17][c:18](-[c:19]3[cH:20][c:21]([Cl:22])[cH:23][cH:24][cH:25]3)[cH:26][c:27]2[n:28][c:29]1[CH3:30]>B1Oc2ccccc2O1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([OH:6])[c:7]1[c:8](-[c:9]2[cH:10][cH:11][c:12]([F:13])[cH:14][cH:15]2)[n:16]2[n:17][c:18](-[c:19]3[cH:20][c:21]([Cl:22])[cH:23][cH:24][cH:25]3)[cH:26][c:27]2[n:28][c:29]1[CH3:30] HEWYMOZNYKXFHO-UHFFFAOYSA-N>>OLBOHAIAEGBDRB-NRFANRHFSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11] 7b5a89e5196706e8b7669458c5c57ac70c4458d0ba4074de954289e1a1ec33e0 [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[c:8](-[c:9]2[cH:10][cH:11][c:12]([CH3:13])[cH:14][cH:15]2)[n:16]2[n:17][c:18](-[c:19]3[cH:20][c:21]([Cl:22])[cH:23][cH:24][cH:25]3)[cH:26][c:27]2[n:28][c:29]1[CH3:30]>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([OH:6])[c:7]1[c:8](-[c:9]2[cH:10][cH:11][c:12]([CH3:13])[cH:14][cH:15]2)[n:16]2[n:17][c:18](-[c:19]3[cH:20][c:21]([Cl:22])[cH:23][cH:24][cH:25]3)[cH:26][c:27]2[n:28][c:29]1[CH3:30] ULBICOGCVPOYHF-UHFFFAOYSA-N>>XQQRRPAYOSFUDB-QFIPXVFZSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11] 7b5a89e5196706e8b7669458c5c57ac70c4458d0ba4074de954289e1a1ec33e0 [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[c:8]([CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[n:15]2[n:16][c:17](-[c:18]3[cH:19][c:20]([Cl:21])[cH:22][cH:23][cH:24]3)[cH:25][c:26]2[n:27][c:28]1[CH3:29]>B1Oc2ccccc2O1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([OH:6])[c:7]1[c:8]([CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[n:15]2[n:16][c:17](-[c:18]3[cH:19][c:20]([Cl:21])[cH:22][cH:23][cH:24]3)[cH:25][c:26]2[n:27][c:28]1[CH3:29] YCWBZDNRQCFCRY-UHFFFAOYSA-N>>HWDJFMVAISSMIR-NRFANRHFSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11] 7b5a89e5196706e8b7669458c5c57ac70c4458d0ba4074de954289e1a1ec33e0 [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[c:8]([Cl:9])[n:10]2[n:11][c:12](-[c:13]3[cH:14][c:15]4[c:16]([cH:17][cH:18]3)[CH2:19][CH2:20][CH2:21][CH2:22]4)[cH:23][c:24]2[n:25][c:26]1[CH3:27]>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([OH:6])[c:7]1[c:8]([Cl:9])[n:10]2[n:11][c:12](-[c:13]3[cH:14][c:15]4[c:16]([cH:17][cH:18]3)[CH2:19][CH2:20][CH2:21][CH2:22]4)[cH:23][c:24]2[n:25][c:26]1[CH3:27] DNYXPWVUKFQASA-UHFFFAOYSA-N>>WKRHMAHOJJCKSI-SFHVURJKSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11] 7b5a89e5196706e8b7669458c5c57ac70c4458d0ba4074de954289e1a1ec33e0 [CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6](=[O:7])[c:8]1[c:9]([Cl:10])[n:11]2[n:12][c:13](-[c:14]3[cH:15][c:16]([Cl:17])[cH:18][cH:19][cH:20]3)[c:21]([CH3:22])[c:23]2[n:24][c:25]1[CH3:26]>B1Oc2ccccc2O1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CC#N.CCOC(C)=O.Cc1ccccc1.O=C(O)O.O=C=O.[Na+].[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]([OH:7])[c:8]1[c:9]([Cl:10])[n:11]2[n:12][c:13](-[c:14]3[cH:15][c:16]([Cl:17])[cH:18][cH:19][cH:20]3)[c:21]([CH3:22])[c:23]2[n:24][c:25]1[CH3:26] MPTMTHATBOPIML-UHFFFAOYSA-N>>HCBFEJKDHCGHFZ-HNNXBMFYSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C:11]-[C;D1;H3:12]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C:11]-[C;D1;H3:12] 5276d962db1f404e9b6cf2e27c0a83f30b8e4593b0e9bbfb2995d4c68307c42c O[C@H:15]1[CH2:16][CH2:17][c:18]2[c:19]([Br:20])[cH:21][cH:22][c:23]([F:24])[c:25]21.[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([OH:14])[cH:26]2>C1CCOC1.CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)C.CCCCP(CCCC)CCCC>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:14][C@@H:15]1[CH2:16][CH2:17][c:18]3[c:19]([Br:20])[cH:21][cH:22][c:23]([F:24])[c:25]31)[cH:26]2 NLVVNRITLSLCDP-QMMMGPOBSA-N.RHMDISFJOKCCAQ-SSDOTTSWSA-N>>VSQNITFCEFODMF-PIGZYNQJSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de [O:1]=[C:2]1[CH2:3][CH2:4][c:5]2[c:6]([CH:7]3[CH2:8][CH2:9][O:10][CH2:11][CH2:12]3)[cH:13][cH:14][c:15]([F:16])[c:17]21>COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(Br)ccc(F)c43)ccc21>[OH:1][C@H:2]1[CH2:3][CH2:4][c:5]2[c:6]([CH:7]3[CH2:8][CH2:9][O:10][CH2:11][CH2:12]3)[cH:13][cH:14][c:15]([F:16])[c:17]21 UNXLJNHBINVHJL-UHFFFAOYSA-N>>PPMDXMWJLDYEFO-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[c:8]([Cl:9])[n:10]2[n:11][c:12](-[c:13]3[cH:14][c:15]([Cl:16])[cH:17][cH:18][cH:19]3)[cH:20][c:21]2[n:22][c:23]1[CH3:24]>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CC#N.Cc1ccccc1.Cc1ccccc1.O=C(O)O.O=C=O.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([OH:6])[c:7]1[c:8]([Cl:9])[n:10]2[n:11][c:12](-[c:13]3[cH:14][c:15]([Cl:16])[cH:17][cH:18][cH:19]3)[cH:20][c:21]2[n:22][c:23]1[CH3:24] QWIYBFSBPHXDJJ-UHFFFAOYSA-N>>UZRPAFDGNZQAAG-AWEZNQCLSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11] ee8cb2d95bcb5bc67f2fb07ff0646f6d82222a8c819b7386e9cf753e380993ca [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[c:8]([CH:9]([CH3:10])[CH3:11])[n:12]2[n:13][c:14](-[c:15]3[cH:16][c:17]([Cl:18])[cH:19][cH:20][cH:21]3)[cH:22][c:23]2[n:24][c:25]1[CH3:26]>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([OH:6])[c:7]1[c:8]([CH:9]([CH3:10])[CH3:11])[n:12]2[n:13][c:14](-[c:15]3[cH:16][c:17]([Cl:18])[cH:19][cH:20][cH:21]3)[cH:22][c:23]2[n:24][c:25]1[CH3:26] IGKCVCBLXPESIM-UHFFFAOYSA-N>>ULIBRVXPIOCHRL-SFHVURJKSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11] ee8cb2d95bcb5bc67f2fb07ff0646f6d82222a8c819b7386e9cf753e380993ca [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[c:8]([CH2:9][CH:10]([CH3:11])[CH3:12])[n:13]2[n:14][c:15](-[c:16]3[cH:17][c:18]([Cl:19])[cH:20][cH:21][cH:22]3)[cH:23][c:24]2[n:25][c:26]1[CH3:27]>B1Oc2ccccc2O1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([OH:6])[c:7]1[c:8]([CH2:9][CH:10]([CH3:11])[CH3:12])[n:13]2[n:14][c:15](-[c:16]3[cH:17][c:18]([Cl:19])[cH:20][cH:21][cH:22]3)[cH:23][c:24]2[n:25][c:26]1[CH3:27] LVSQGISOGWIYHT-UHFFFAOYSA-N>>CNLXQWJOQCKIMU-IBGZPJMESA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11] ee8cb2d95bcb5bc67f2fb07ff0646f6d82222a8c819b7386e9cf753e380993ca [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[c:8](-[c:9]2[cH:10][cH:11][c:12]([F:13])[cH:14][cH:15]2)[n:16]2[n:17][c:18](-[c:19]3[cH:20][c:21]([Cl:22])[cH:23][cH:24][cH:25]3)[cH:26][c:27]2[n:28][c:29]1[CH3:30]>B1Oc2ccccc2O1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([OH:6])[c:7]1[c:8](-[c:9]2[cH:10][cH:11][c:12]([F:13])[cH:14][cH:15]2)[n:16]2[n:17][c:18](-[c:19]3[cH:20][c:21]([Cl:22])[cH:23][cH:24][cH:25]3)[cH:26][c:27]2[n:28][c:29]1[CH3:30] HEWYMOZNYKXFHO-UHFFFAOYSA-N>>OLBOHAIAEGBDRB-NRFANRHFSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11] ee8cb2d95bcb5bc67f2fb07ff0646f6d82222a8c819b7386e9cf753e380993ca [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[c:8](-[c:9]2[cH:10][cH:11][c:12]([CH3:13])[cH:14][cH:15]2)[n:16]2[n:17][c:18](-[c:19]3[cH:20][c:21]([Cl:22])[cH:23][cH:24][cH:25]3)[cH:26][c:27]2[n:28][c:29]1[CH3:30]>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([OH:6])[c:7]1[c:8](-[c:9]2[cH:10][cH:11][c:12]([CH3:13])[cH:14][cH:15]2)[n:16]2[n:17][c:18](-[c:19]3[cH:20][c:21]([Cl:22])[cH:23][cH:24][cH:25]3)[cH:26][c:27]2[n:28][c:29]1[CH3:30] ULBICOGCVPOYHF-UHFFFAOYSA-N>>XQQRRPAYOSFUDB-QFIPXVFZSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11] ee8cb2d95bcb5bc67f2fb07ff0646f6d82222a8c819b7386e9cf753e380993ca [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[c:8]([CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[n:15]2[n:16][c:17](-[c:18]3[cH:19][c:20]([Cl:21])[cH:22][cH:23][cH:24]3)[cH:25][c:26]2[n:27][c:28]1[CH3:29]>B1Oc2ccccc2O1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([OH:6])[c:7]1[c:8]([CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[n:15]2[n:16][c:17](-[c:18]3[cH:19][c:20]([Cl:21])[cH:22][cH:23][cH:24]3)[cH:25][c:26]2[n:27][c:28]1[CH3:29] YCWBZDNRQCFCRY-UHFFFAOYSA-N>>HWDJFMVAISSMIR-NRFANRHFSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11] ee8cb2d95bcb5bc67f2fb07ff0646f6d82222a8c819b7386e9cf753e380993ca [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[c:8]([Cl:9])[n:10]2[n:11][c:12](-[c:13]3[cH:14][c:15]4[c:16]([cH:17][cH:18]3)[CH2:19][CH2:20][CH2:21][CH2:22]4)[cH:23][c:24]2[n:25][c:26]1[CH3:27]>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([OH:6])[c:7]1[c:8]([Cl:9])[n:10]2[n:11][c:12](-[c:13]3[cH:14][c:15]4[c:16]([cH:17][cH:18]3)[CH2:19][CH2:20][CH2:21][CH2:22]4)[cH:23][c:24]2[n:25][c:26]1[CH3:27] DNYXPWVUKFQASA-UHFFFAOYSA-N>>WKRHMAHOJJCKSI-SFHVURJKSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11] ee8cb2d95bcb5bc67f2fb07ff0646f6d82222a8c819b7386e9cf753e380993ca [CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6](=[O:7])[c:8]1[c:9]([Cl:10])[n:11]2[n:12][c:13](-[c:14]3[cH:15][c:16]([Cl:17])[cH:18][cH:19][cH:20]3)[c:21]([CH3:22])[c:23]2[n:24][c:25]1[CH3:26]>B1Oc2ccccc2O1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CC#N.CCOC(C)=O.Cc1ccccc1.O=C(O)O.O=C=O.[Na+].[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]([OH:7])[c:8]1[c:9]([Cl:10])[n:11]2[n:12][c:13](-[c:14]3[cH:15][c:16]([Cl:17])[cH:18][cH:19][cH:20]3)[c:21]([CH3:22])[c:23]2[n:24][c:25]1[CH3:26] MPTMTHATBOPIML-UHFFFAOYSA-N>>HCBFEJKDHCGHFZ-HNNXBMFYSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C:11]-[C;D1;H3:12]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C:11]-[C;D1;H3:12] de0e028e524c2ca0f7aedabf56740fdcf42a4b975c66c747c9b7edb7336ba9d5 [O:1]=[C:2]1[CH2:3][CH2:4][c:5]2[c:6]([CH:7]3[CH2:8][CH2:9][O:10][CH2:11][CH2:12]3)[cH:13][cH:14][c:15]([F:16])[c:17]21>COC(=O)C[C@@H]1COc2cc(O[C@@H]3CCc4c(Br)ccc(F)c43)ccc21>[OH:1][C@H:2]1[CH2:3][CH2:4][c:5]2[c:6]([CH:7]3[CH2:8][CH2:9][O:10][CH2:11][CH2:12]3)[cH:13][cH:14][c:15]([F:16])[c:17]21 UNXLJNHBINVHJL-UHFFFAOYSA-N>>PPMDXMWJLDYEFO-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 O=C(O[OH:14])c1cccc(Cl)c1.[CH3:1][CH:2]([OH:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C@H:11]4[CH2:12][CH:13]=[CH:15][CH2:16][C@:17]4([CH3:18])[C@H:19]3[CH2:20][CH2:21][C@:22]12[CH3:23]>ClCCl>[CH3:1][CH:2]([OH:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C@H:11]4[CH2:12][C@@H:13]5[O:14][C@@H:15]5[CH2:16][C@:17]4([CH3:18])[C@H:19]3[CH2:20][CH2:21][C@:22]12[CH3:23] HZULPFGSARNYNT-JMTGGFPBSA-N.NHQDETIJWKXCTC-UHFFFAOYSA-N>>KPIGZYQGGJVDLF-KKLBVHBKSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3]1-[O;H0;D2;+0:1]-[C@H;D3;+0:4]-1-[C:5]>>Cl-c1:c:c:c:c(-C(=O)-O-[OH;D1;+0:1]):c:1.[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5] c347e171e5b6b45a33e6b67f722aa99cc6e0f8560df6c504bf73b47d0d8c6558 O=C(O[OH:13])c1cccc(Cl)c1.[CH3:1][O:2][C@H:3]1[CH2:4][CH2:5][C@H:6]2[C@@H:7]3[CH2:8][CH2:9][CH:10]4[CH2:11][CH:12]=[CH:14][CH2:15][C@:16]4([CH3:17])[C@H:18]3[CH2:19][CH2:20][C@:21]12[CH3:22]>ClCCl>[CH3:1][O:2][C@H:3]1[CH2:4][CH2:5][C@H:6]2[C@@H:7]3[CH2:8][CH2:9][CH:10]4[CH2:11][C@@H:12]5[O:13][C@@H:14]5[CH2:15][C@:16]4([CH3:17])[C@H:18]3[CH2:19][CH2:20][C@:21]12[CH3:22] NHQDETIJWKXCTC-UHFFFAOYSA-N.OSRAVXDTGISFGM-IWMPCEKISA-N>>NXRMJHPOHFLUMO-ZYXOQUSJSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3]1-[O;H0;D2;+0:1]-[C@H;D3;+0:4]-1-[C:5]>>Cl-c1:c:c:c:c(-C(=O)-O-[OH;D1;+0:1]):c:1.[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5] c347e171e5b6b45a33e6b67f722aa99cc6e0f8560df6c504bf73b47d0d8c6558 O=[CH:12][c:10]1[c:9]([N:29]2[CH2:22][C@@H:23]([CH3:24])[O:25][C@@H:26]([CH3:27])[CH2:28]2)[c:7]([F:8])[c:5]([F:6])[c:4]([C:2]([CH3:1])=[O:3])[cH:11]1.[CH2:13]1[C:14](=[O:15])[NH:16][C:17](=[O:18])[NH:19][C:20]1=[O:21]>CC(C)O>[CH3:1][C:2](=[O:3])[c:4]1[c:5]([F:6])[c:7]([F:8])[c:9]2[c:10]([cH:11]1)[CH2:12][C:13]1([C:14](=[O:15])[NH:16][C:17](=[O:18])[NH:19][C:20]1=[O:21])[C@H:22]1[C@H:23]([CH3:24])[O:25][C@H:26]([CH3:27])[CH2:28][N:29]21 FJAWWMXTWDVZEL-DTORHVGOSA-N.HNYOPLTXPVRDBG-UHFFFAOYSA-N>>BGKVHYCXLRRCBX-FCEXRKLGSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D4;+0:6]1-[C@@H;D3;+0:5]-[N;H0;D3;+0:4]-[c;H0;D3;+0:3]:[c;H0;D3;+0:2]-[CH2;D2;+0:1]-1>>O=[CH;D2;+0:1]-[c;H0;D3;+0:2]:[c;H0;D3;+0:3]-[N;H0;D3;+0:4]-[CH2;D2;+0:5].[CH2;D2;+0:6] 33a55cecae4c9888e9e04f7137c4d1dcf6443273819f6dca14ede68d1a3b30da O=[CH:15][c:14]1[c:8]([N:7]2[CH2:6][C@H:4]([CH3:5])[O:3][C@H:2]([CH3:1])[CH2:25]2)[c:9]([F:10])[c:11]2[c:12]([cH:13]1)[c:26]([NH2:27])[n:28][o:29]2.[CH2:16]1[C:17](=[O:18])[NH:19][C:20](=[O:21])[NH:22][C:23]1=[O:24]>CC(C)O>[CH3:1][C@@H:2]1[O:3][C@H:4]([CH3:5])[CH2:6][N:7]2[c:8]3[c:9]([F:10])[c:11]4[c:12]([cH:13][c:14]3[CH2:15][C:16]3([C:17](=[O:18])[NH:19][C:20](=[O:21])[NH:22][C:23]3=[O:24])[C@@H:25]12)[c:26]([NH2:27])[n:28][o:29]4 HASDAZWVDCBIRC-OCAPTIKFSA-N.HNYOPLTXPVRDBG-UHFFFAOYSA-N>>SBWCMUMKNBMKNA-DDZXGWPLSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D4;+0:6]1-[C@@H;D3;+0:5]-[N;H0;D3;+0:4]-[c;H0;D3;+0:3]:[c;H0;D3;+0:2]-[CH2;D2;+0:1]-1>>O=[CH;D2;+0:1]-[c;H0;D3;+0:2]:[c;H0;D3;+0:3]-[N;H0;D3;+0:4]-[CH2;D2;+0:5].[CH2;D2;+0:6] 33a55cecae4c9888e9e04f7137c4d1dcf6443273819f6dca14ede68d1a3b30da O=[CH:9][c:8]1[cH:7][c:6]2[c:2]([CH3:1])[n:3][o:4][c:5]2[c:28]([F:29])[c:27]1[N:26]1[CH2:19][C@H:20]([CH3:21])[O:22][C@H:23]([CH3:24])[CH2:25]1.[CH2:10]1[C:11](=[O:12])[NH:13][C:14](=[O:15])[NH:16][C:17]1=[O:18]>CC(C)O.CO>[CH3:1][c:2]1[n:3][o:4][c:5]2[c:6]1[cH:7][c:8]1[c:27]([c:28]2[F:29])[N:26]2[C@@H:19]([C:10]3([CH2:9]1)[C:11](=[O:12])[NH:13][C:14](=[O:15])[NH:16][C:17]3=[O:18])[C@H:20]([CH3:21])[O:22][C@H:23]([CH3:24])[CH2:25]2 CXUGJPXACUKMEU-DTORHVGOSA-N.HNYOPLTXPVRDBG-UHFFFAOYSA-N>>FWKBFPFKHVTISW-FCEXRKLGSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D4;+0:6]1-[C@@H;D3;+0:5]-[N;H0;D3;+0:4]-[c;H0;D3;+0:3]:[c;H0;D3;+0:2]-[CH2;D2;+0:1]-1>>O=[CH;D2;+0:1]-[c;H0;D3;+0:2]:[c;H0;D3;+0:3]-[N;H0;D3;+0:4]-[CH2;D2;+0:5].[CH2;D2;+0:6] 33a55cecae4c9888e9e04f7137c4d1dcf6443273819f6dca14ede68d1a3b30da O=[CH:9][c:8]1[cH:7][c:6]2[c:2]([CH3:1])[n:3][o:4][c:5]2[c:28]([Cl:29])[c:27]1[N:26]1[CH2:19][C@H:20]([CH3:21])[O:22][C@H:23]([CH3:24])[CH2:25]1.[CH2:10]1[C:11](=[O:12])[NH:13][C:14](=[O:15])[NH:16][C:17]1=[O:18]>CC(C)O>[CH3:1][c:2]1[n:3][o:4][c:5]2[c:6]1[cH:7][c:8]1[c:27]([c:28]2[Cl:29])[N:26]2[C@@H:19]([C:10]3([CH2:9]1)[C:11](=[O:12])[NH:13][C:14](=[O:15])[NH:16][C:17]3=[O:18])[C@H:20]([CH3:21])[O:22][C@H:23]([CH3:24])[CH2:25]2 DQIGXDLEAYNJDB-DTORHVGOSA-N.HNYOPLTXPVRDBG-UHFFFAOYSA-N>>YUFDLDKPRBELKV-FCEXRKLGSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D4;+0:6]1-[C@@H;D3;+0:5]-[N;H0;D3;+0:4]-[c;H0;D3;+0:3]:[c;H0;D3;+0:2]-[CH2;D2;+0:1]-1>>O=[CH;D2;+0:1]-[c;H0;D3;+0:2]:[c;H0;D3;+0:3]-[N;H0;D3;+0:4]-[CH2;D2;+0:5].[CH2;D2;+0:6] 33a55cecae4c9888e9e04f7137c4d1dcf6443273819f6dca14ede68d1a3b30da O=[CH:15][c:14]1[c:8]([N:7]2[CH2:6][C@H:4]([CH3:5])[O:3][C@H:2]([CH3:1])[CH2:25]2)[c:9]([F:10])[c:11]2[c:12]([cH:13]1)[c:26](-[c:27]1[n:28][c:29]([C:30](=[O:31])[N:32]3[CH2:33][CH2:34][O:35][CH2:36][CH2:37]3)[cH:38][s:39]1)[n:40][o:41]2.[CH2:16]1[C:17](=[O:18])[NH:19][C:20](=[O:21])[NH:22][C:23]1=[O:24]>CC(C)O>[CH3:1][C@@H:2]1[O:3][C@H:4]([CH3:5])[CH2:6][N:7]2[c:8]3[c:9]([F:10])[c:11]4[c:12]([cH:13][c:14]3[CH2:15][C:16]3([C:17](=[O:18])[NH:19][C:20](=[O:21])[NH:22][C:23]3=[O:24])[C@@H:25]12)[c:26](-[c:27]1[n:28][c:29]([C:30](=[O:31])[N:32]2[CH2:33][CH2:34][O:35][CH2:36][CH2:37]2)[cH:38][s:39]1)[n:40][o:41]4 HNYOPLTXPVRDBG-UHFFFAOYSA-N.OBJBGOLMQYHNRR-BETUJISGSA-N>>AZMNGMAIFOBUOK-XAAFQQQXSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D4;+0:6]1-[C@@H;D3;+0:5]-[N;H0;D3;+0:4]-[c;H0;D3;+0:3]:[c;H0;D3;+0:2]-[CH2;D2;+0:1]-1>>O=[CH;D2;+0:1]-[c;H0;D3;+0:2]:[c;H0;D3;+0:3]-[N;H0;D3;+0:4]-[CH2;D2;+0:5].[CH2;D2;+0:6] 33a55cecae4c9888e9e04f7137c4d1dcf6443273819f6dca14ede68d1a3b30da O=[CH:15][c:14]1[c:8]([N:7]2[CH2:6][C@H:4]([CH3:5])[O:3][C@H:2]([CH3:1])[CH2:25]2)[c:9]([F:10])[c:11]2[c:12]([cH:13]1)[c:26]([C:27](=[O:28])[NH:29][CH2:30][CH:31]([F:32])[F:33])[n:34][o:35]2.[CH2:16]1[C:17](=[O:18])[NH:19][C:20](=[O:21])[NH:22][C:23]1=[O:24]>>[CH3:1][C@@H:2]1[O:3][C@H:4]([CH3:5])[CH2:6][N:7]2[c:8]3[c:9]([F:10])[c:11]4[c:12]([cH:13][c:14]3[CH2:15][C:16]3([C:17](=[O:18])[NH:19][C:20](=[O:21])[NH:22][C:23]3=[O:24])[C@@H:25]12)[c:26]([C:27](=[O:28])[NH:29][CH2:30][CH:31]([F:32])[F:33])[n:34][o:35]4 HNYOPLTXPVRDBG-UHFFFAOYSA-N.KOUUOGTUSNZZBL-DTORHVGOSA-N>>KZVFTFMKZAUXKO-WLOPVIGXSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D4;+0:6]1-[C@@H;D3;+0:5]-[N;H0;D3;+0:4]-[c;H0;D3;+0:3]:[c;H0;D3;+0:2]-[CH2;D2;+0:1]-1>>O=[CH;D2;+0:1]-[c;H0;D3;+0:2]:[c;H0;D3;+0:3]-[N;H0;D3;+0:4]-[CH2;D2;+0:5].[CH2;D2;+0:6] 33a55cecae4c9888e9e04f7137c4d1dcf6443273819f6dca14ede68d1a3b30da O=[CH:15][c:14]1[c:8]([N:7]2[CH2:6][C@H:4]([CH3:5])[O:3][C@H:2]([CH3:1])[CH2:25]2)[c:9]([F:10])[c:11]2[c:12]([cH:13]1)[c:26](-[c:27]1[cH:28][cH:29][cH:30][o:31]1)[n:32][o:33]2.[CH2:16]1[C:17](=[O:18])[NH:19][C:20](=[O:21])[NH:22][C:23]1=[O:24]>CC(C)O>[CH3:1][C@@H:2]1[O:3][C@H:4]([CH3:5])[CH2:6][N:7]2[c:8]3[c:9]([F:10])[c:11]4[c:12]([cH:13][c:14]3[CH2:15][C:16]3([C:17](=[O:18])[NH:19][C:20](=[O:21])[NH:22][C:23]3=[O:24])[C@@H:25]12)[c:26](-[c:27]1[cH:28][cH:29][cH:30][o:31]1)[n:32][o:33]4 BJEAUYYDUMPGDG-PHIMTYICSA-N.HNYOPLTXPVRDBG-UHFFFAOYSA-N>>SMUYQNDYNHLRPO-AUSHCKSDSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D4;+0:6]1-[C@@H;D3;+0:5]-[N;H0;D3;+0:4]-[c;H0;D3;+0:3]:[c;H0;D3;+0:2]-[CH2;D2;+0:1]-1>>O=[CH;D2;+0:1]-[c;H0;D3;+0:2]:[c;H0;D3;+0:3]-[N;H0;D3;+0:4]-[CH2;D2;+0:5].[CH2;D2;+0:6] 33a55cecae4c9888e9e04f7137c4d1dcf6443273819f6dca14ede68d1a3b30da O=[CH:13][c:12]1[n:11][c:10]2[c:6](-[c:5]3[cH:4][n:3][c:2]([CH3:1])[s:34]3)[n:7][o:8][c:9]2[c:32]([Cl:33])[c:31]1[N:30]1[CH2:23][C@H:24]([CH3:25])[O:26][C@H:27]([CH3:28])[CH2:29]1.[CH2:14]1[C:15](=[O:16])[NH:17][C:18](=[O:19])[NH:20][C:21]1=[O:22]>CC(C)O>[CH3:1][c:2]1[n:3][cH:4][c:5](-[c:6]2[n:7][o:8][c:9]3[c:10]2[n:11][c:12]2[c:31]([c:32]3[Cl:33])[N:30]3[C@@H:23]([C:14]4([CH2:13]2)[C:15](=[O:16])[NH:17][C:18](=[O:19])[NH:20][C:21]4=[O:22])[C@H:24]([CH3:25])[O:26][C@H:27]([CH3:28])[CH2:29]3)[s:34]1 AIMMTOCNRKHLPP-DTORHVGOSA-N.HNYOPLTXPVRDBG-UHFFFAOYSA-N>>WAZVTBNVCWCCOR-QTDQWHRXSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D4;+0:6]1-[C@@H;D3;+0:5]-[N;H0;D3;+0:4]-[c;H0;D3;+0:3]:[c;H0;D3;+0:2]-[CH2;D2;+0:1]-1>>O=[CH;D2;+0:1]-[c;H0;D3;+0:2]:[c;H0;D3;+0:3]-[N;H0;D3;+0:4]-[CH2;D2;+0:5].[CH2;D2;+0:6] 33a55cecae4c9888e9e04f7137c4d1dcf6443273819f6dca14ede68d1a3b30da O=[CH:15][c:14]1[c:8]([N:7]2[CH2:6][C@H:4]([CH3:5])[O:3][C@H:2]([CH3:1])[CH2:25]2)[c:9]([Cl:10])[c:11]2[c:12]([cH:13]1)[c:26](-[c:27]1[n:28][cH:29][cH:30][n:31][cH:32]1)[n:33][o:34]2.[CH2:16]1[C:17](=[O:18])[NH:19][C:20](=[O:21])[NH:22][C:23]1=[O:24]>CC(C)O>[CH3:1][C@@H:2]1[O:3][C@H:4]([CH3:5])[CH2:6][N:7]2[c:8]3[c:9]([Cl:10])[c:11]4[c:12]([cH:13][c:14]3[CH2:15][C:16]3([C:17](=[O:18])[NH:19][C:20](=[O:21])[NH:22][C:23]3=[O:24])[C@@H:25]12)[c:26](-[c:27]1[n:28][cH:29][cH:30][n:31][cH:32]1)[n:33][o:34]4 HNYOPLTXPVRDBG-UHFFFAOYSA-N.OYGGZYHWOLMPMH-PHIMTYICSA-N>>BNAWAMPTLLVBEW-AUSHCKSDSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D4;+0:6]1-[C@@H;D3;+0:5]-[N;H0;D3;+0:4]-[c;H0;D3;+0:3]:[c;H0;D3;+0:2]-[CH2;D2;+0:1]-1>>O=[CH;D2;+0:1]-[c;H0;D3;+0:2]:[c;H0;D3;+0:3]-[N;H0;D3;+0:4]-[CH2;D2;+0:5].[CH2;D2;+0:6] 33a55cecae4c9888e9e04f7137c4d1dcf6443273819f6dca14ede68d1a3b30da O=[CH:9][c:8]1[n:7][c:6]2[c:2]([CH3:1])[n:3][o:4][c:5]2[c:28]([Cl:29])[c:27]1[N:26]1[CH2:19][C@@H:20]([CH3:21])[O:22][C@@H:23]([CH3:24])[CH2:25]1.[CH2:10]1[C:11](=[O:12])[NH:13][C:14](=[O:15])[NH:16][C:17]1=[O:18]>CC(C)O>[CH3:1][c:2]1[n:3][o:4][c:5]2[c:6]1[n:7][c:8]1[c:27]([c:28]2[Cl:29])[N:26]2[C@@H:19]([C:10]3([CH2:9]1)[C:11](=[O:12])[NH:13][C:14](=[O:15])[NH:16][C:17]3=[O:18])[C@H:20]([CH3:21])[O:22][C@H:23]([CH3:24])[CH2:25]2 HNYOPLTXPVRDBG-UHFFFAOYSA-N.XGGKCRBSLATLFS-OCAPTIKFSA-N>>LHILYOACGPWLNT-FJHODICESA-N 0.0 Unrecognized True substrate controlled False [C;H0;D4;+0:6]1-[C@@H;D3;+0:5]-[N;H0;D3;+0:4]-[c;H0;D3;+0:3]:[c;H0;D3;+0:2]-[CH2;D2;+0:1]-1>>O=[CH;D2;+0:1]-[c;H0;D3;+0:2]:[c;H0;D3;+0:3]-[N;H0;D3;+0:4]-[CH2;D2;+0:5].[CH2;D2;+0:6] 33a55cecae4c9888e9e04f7137c4d1dcf6443273819f6dca14ede68d1a3b30da O=[CH:13][c:12]1[cH:11][c:10]2[c:6]([C:4]([O:3][CH2:2][CH3:1])=[O:5])[n:7][o:8][c:9]2[c:32]([F:33])[c:31]1[N:30]1[CH2:23][C@H:24]([CH3:25])[O:26][C@H:27]([CH3:28])[CH2:29]1.[CH2:14]1[C:15](=[O:16])[NH:17][C:18](=[O:19])[NH:20][C:21]1=[O:22]>CCO>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[n:7][o:8][c:9]2[c:10]1[cH:11][c:12]1[c:31]([c:32]2[F:33])[N:30]2[C@@H:23]([C:14]3([CH2:13]1)[C:15](=[O:16])[NH:17][C:18](=[O:19])[NH:20][C:21]3=[O:22])[C@H:24]([CH3:25])[O:26][C@H:27]([CH3:28])[CH2:29]2 HNYOPLTXPVRDBG-UHFFFAOYSA-N.MVZZMYJDBXKUSM-AOOOYVTPSA-N>>STERFRCBIKXRFO-YNEJBJPTSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D4;+0:6]1-[C@@H;D3;+0:5]-[N;H0;D3;+0:4]-[c;H0;D3;+0:3]:[c;H0;D3;+0:2]-[CH2;D2;+0:1]-1>>O=[CH;D2;+0:1]-[c;H0;D3;+0:2]:[c;H0;D3;+0:3]-[N;H0;D3;+0:4]-[CH2;D2;+0:5].[CH2;D2;+0:6] 33a55cecae4c9888e9e04f7137c4d1dcf6443273819f6dca14ede68d1a3b30da Br[CH2:5][C:4]([c:3]1[c:2]([CH3:1])[c:10]2[c:9]([cH:8][cH:7]1)[C:13](=[O:14])[O:12][CH2:11]2)=[O:6]>CC(C)O.CCN(CC)CC.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=P(O)(O)O.Cl.[K+].[K+].[K+].[Na+]>[CH3:1][c:2]1[c:3]([C@@H:4]2[CH2:5][O:6]2)[cH:7][cH:8][c:9]2[c:10]1[CH2:11][O:12][C:13]2=[O:14] GAHGGBYSEOQNER-UHFFFAOYSA-N>>YQLAZVRXBCSLAI-JTQLQIEISA-N 0.0 Unrecognized True reagent controlled False [C@H;D3;+0:2]1-[CH2;D2;+0:1]-[O;H0;D2;+0:3]-1>>Br-[CH2;D2;+0:1]-[C;H0;D3;+0:2]=[O;H0;D1;+0:3] ac8937a87a30632d29323b1570ec4c3062e4719c00670bd84d926d8aa910dfe8 Br[CH2:8][c:7]1[c:5]([I:6])[cH:4][c:3]([O:2][CH3:1])[cH:23][cH:22]1.[CH2:9]1[N:10]=[C:11]([O:12][CH3:13])[C@@H:14]([CH:15]([CH3:16])[CH3:17])[N:18]=[C:19]1[O:20][CH3:21]>C1CCOC1.C1CCOC1.N#C[Cu].N#C[Cu].Cl.[Li]CCCC.N>[CH3:1][O:2][c:3]1[cH:4][c:5]([I:6])[c:7]([CH2:8][C@@H:9]2[N:10]=[C:11]([O:12][CH3:13])[C@@H:14]([CH:15]([CH3:16])[CH3:17])[N:18]=[C:19]2[O:20][CH3:21])[cH:22][cH:23]1 FCFWEOGTZZPCTO-MRVPVSSYSA-N.YDWMABQHIGGOFZ-UHFFFAOYSA-N>>FJQSYYOGKJYIGS-LSDHHAIUSA-N 0.0 Unrecognized False substrate controlled False [#7:3]=[C:4]-[C@@H;D3;+0:5](-[#7:6]=[C:7])-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]=[C:4]-[CH2;D2;+0:5]-[#7:6]=[C:7] 8ae87320ea55b898c068a2bfc341489ff469f2b58b37d2addc3e7e398f6c02b1 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][C:11](=[O:12])[c:13]1[cH:14][c:15]([N:16]([CH2:17][CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:31][cH:32][cH:33]1>C1CCOC1.C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)C[C@H]2C[C@@H]1C2(C)C>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][C@@H:11]([OH:12])[c:13]1[cH:14][c:15]([N:16]([CH2:17][CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:31][cH:32][cH:33]1 AKSMVXDQHTZZPF-UHFFFAOYSA-N>>CSCGGFZKXIEFCD-JOCHJYFZSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 Br[CH2:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24].[CH3:1][C@@H:2]1[C@H:3]([c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9]2)[O:10][C:11](=[O:12])[N:13]1[C:14](=[O:15])[CH2:16][CH2:25][c:26]1[cH:27][cH:28][c:29]([Cl:30])[cH:31][cH:32]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[CH3:1][C@@H:2]1[C@H:3]([c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9]2)[O:10][C:11](=[O:12])[N:13]1[C:14](=[O:15])[C@H:16]([CH2:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:25][c:26]1[cH:27][cH:28][c:29]([Cl:30])[cH:31][cH:32]1 BNWCETAHAJSBFG-UHFFFAOYSA-N.RSKUOSIGBZZCAI-FZKQIMNGSA-N>>WJWPRFKUUNMDOO-GTCCEBARSA-N 0.0 Unrecognized False substrate controlled False [#7:9]-[C:10](=[O;D1;H0:11])-[C@@H;D3;+0:12](-[C:13])-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8]>>Br-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8].[#7:9]-[C:10](=[O;D1;H0:11])-[CH2;D2;+0:12]-[C:13] a722e3732220cc0dd3ad0db5e2d7ebdb7f98bc5cba08db31006e3b8456788b66 [CH:1]#[C:2][c:3]1[c:4](/[N:5]=[N:6]/[N:7]2[CH2:8][CH2:9][CH2:10][CH2:11]2)[c:12](-[c:13]2[cH:14][c:15]([F:16])[cH:17][cH:18][cH:19]2)[c:20]([C:21]([CH3:22])=[O:23])[cH:24][c:25]1[Cl:26]>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.Cl.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)O.[K+].[K+]>[CH:1]#[C:2][c:3]1[c:4](/[N:5]=[N:6]/[N:7]2[CH2:8][CH2:9][CH2:10][CH2:11]2)[c:12](-[c:13]2[cH:14][c:15]([F:16])[cH:17][cH:18][cH:19]2)[c:20]([C@@H:21]([CH3:22])[OH:23])[cH:24][c:25]1[Cl:26] IENUFENPEQJKDR-WCWDXBQESA-N>>GZZRLZXFKGKYFN-YOJUGNCBSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][C:2](=[O:3])[c:4]1[c:5]([Cl:6])[cH:7][c:8]([Cl:9])[cH:10][cH:11]1>C1CCOC1.C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)C[C@H]2C[C@@H]1C2(C)C.OCCNCCO>[CH3:1][C@@H:2]([OH:3])[c:4]1[c:5]([Cl:6])[cH:7][c:8]([Cl:9])[cH:10][cH:11]1 XMCRWEBERCXJCH-UHFFFAOYSA-N>>KWZDYNBHZMQRLS-RXMQYKEDSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 I[CH3:1].[CH2:2]([C:3](=[O:4])[N:5]1[C:6](=[O:7])[O:8][CH2:9][C@@H:10]1[CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[c:18]1[cH:19][cH:20][c:21]([F:22])[cH:23][cH:24]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[CH3:1][C@H:2]([C:3](=[O:4])[N:5]1[C:6](=[O:7])[O:8][CH2:9][C@@H:10]1[CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[c:18]1[cH:19][cH:20][c:21]([F:22])[cH:23][cH:24]1 INQOMBQAUSQDDS-UHFFFAOYSA-N.RKQFDYXUAACCJJ-INIZCTEOSA-N>>VBTQNVGPCAESPO-GUYCJALGSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[CH3;D1;+0:1])-[c:6]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[c:6] 392eb33aa7db2786e7965885f1d27e0768cd68e2a2f31bb6600bca5f4293b06f [O:1]=[N+:2]([O-:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[CH2:10][CH2:11][C:12](=[O:13])[c:14]2[cH:15][cH:16][c:17]([N+:18](=[O:19])[O-:20])[cH:21][cH:22]2)[cH:23][cH:24]1>B.B.C1CCOC1.CCN(CC)c1ccccc1.CCOC(C)=O.CO.COB(OC)OC.Cl.OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1>[O:1]=[N+:2]([O-:3])[c:4]1[cH:5][cH:6][c:7]([C@H:8]([OH:9])[CH2:10][CH2:11][C@@H:12]([OH:13])[c:14]2[cH:15][cH:16][c:17]([N+:18](=[O:19])[O-:20])[cH:21][cH:22]2)[cH:23][cH:24]1 ZTOYTFFEUUYRNR-UHFFFAOYSA-N>>UWHDPSHAHWBHHT-HZPDHXFCSA-N 0.0 Unrecognized False reagent controlled False [OH;D1;+0:1]-[C@@H;D3;+0:2](-[c:3])-[C:4]-[C:5]-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[c:8]>>[O;H0;D1;+0:1]=[C;H0;D3;+0:2](-[c:3])-[C:4]-[C:5]-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[c:8] e9387805322b6a299239a82ee8666e2c8076dd498778dd149e0678ab87c7a9a6 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][C:11](=[O:12])[c:13]1[cH:14][c:15]([N:16]([CH2:17][CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:31][cH:32][cH:33]1>C1CCOC1.C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)C[C@H]2C[C@@H]1C2(C)C>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][CH2:10][C@@H:11]([OH:12])[c:13]1[cH:14][c:15]([N:16]([CH2:17][CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:31][cH:32][cH:33]1 AKSMVXDQHTZZPF-UHFFFAOYSA-N>>CSCGGFZKXIEFCD-JOCHJYFZSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH:1]#[C:2][c:3]1[c:4](/[N:5]=[N:6]/[N:7]2[CH2:8][CH2:9][CH2:10][CH2:11]2)[c:12](-[c:13]2[cH:14][c:15]([F:16])[cH:17][cH:18][cH:19]2)[c:20]([C:21]([CH3:22])=[O:23])[cH:24][c:25]1[Cl:26]>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.Cl.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)O.[K+].[K+]>[CH:1]#[C:2][c:3]1[c:4](/[N:5]=[N:6]/[N:7]2[CH2:8][CH2:9][CH2:10][CH2:11]2)[c:12](-[c:13]2[cH:14][c:15]([F:16])[cH:17][cH:18][cH:19]2)[c:20]([C@@H:21]([CH3:22])[OH:23])[cH:24][c:25]1[Cl:26] IENUFENPEQJKDR-WCWDXBQESA-N>>GZZRLZXFKGKYFN-YOJUGNCBSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][C:2](=[O:3])[c:4]1[c:5]([Cl:6])[cH:7][c:8]([Cl:9])[cH:10][cH:11]1>C1CCOC1.C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)C[C@H]2C[C@@H]1C2(C)C.OCCNCCO>[CH3:1][C@@H:2]([OH:3])[c:4]1[c:5]([Cl:6])[cH:7][c:8]([Cl:9])[cH:10][cH:11]1 XMCRWEBERCXJCH-UHFFFAOYSA-N>>KWZDYNBHZMQRLS-RXMQYKEDSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c CS(=O)(=O)O[C@H:4]1[CH2:5][CH2:6][C@H:7]2[CH2:8][N:9]([CH2:10][c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[CH2:17][C@@H:18]12.[N-:1]=[N+:2]=[N-:3]>CC(=O)N(C)C.CCOC(C)=O.[Na+]>[N-:1]=[N+:2]=[N:3][C@@H:4]1[CH2:5][CH2:6][C@H:7]2[CH2:8][N:9]([CH2:10][c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[CH2:17][C@@H:18]12 IVRMZWNICZWHMI-UHFFFAOYSA-N.WZVWOHJUXPYRJG-ZNMIVQPWSA-N>>DIZSXQZRVAKGCB-BFHYXJOUSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] e79cd9ff929b7823a9a1d3ebd47f2eb0444b747171361724dee4b1aadfcac2ef O=P(c1ccccc1)(c1ccccc1)[N:3]=[N+:2]=[N-:1].O[C@@H:4]1[CH2:5][CH2:6][C@@H:7]2[CH2:8][N:9]([CH2:10][c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[CH2:17][C@H:18]12>CC(C)OC(=O)N=NC(=O)OC(C)C.Cc1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[N-:1]=[N+:2]=[N:3][C@H:4]1[CH2:5][CH2:6][C@@H:7]2[CH2:8][N:9]([CH2:10][c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[CH2:17][C@H:18]12 MKRTXPORKIRPDG-UHFFFAOYSA-N.QVQHJPYWCKXTFP-HZSPNIEDSA-N>>DIZSXQZRVAKGCB-RDBSUJKOSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@H;D3;+0:1](-[C:2])-[C:3].O=P(-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6])(-c1:c:c:c:c:c:1)-c1:c:c:c:c:c:1 2d2b06031c0792813e1e1c17acf5a6e3575385ad0deb2346d3069e4d65fa7aa2 [O:1]=[C:2]1[CH2:3][CH2:4][C@@H:5]2[CH2:6][N:7]([CH2:8][c:9]3[cH:10][cH:11][cH:12][cH:13][cH:14]3)[CH2:15][C@H:16]12>CO.B.[Na+]>[OH:1][C@@H:2]1[CH2:3][CH2:4][C@@H:5]2[CH2:6][N:7]([CH2:8][c:9]3[cH:10][cH:11][cH:12][cH:13][cH:14]3)[CH2:15][C@H:16]12 DLTLETIGPVMJIX-OLZOCXBDSA-N>>QVQHJPYWCKXTFP-HZSPNIEDSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [O:1]=[N+:2]([O-:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[CH2:10][CH2:11][C:12](=[O:13])[c:14]2[cH:15][cH:16][c:17]([N+:18](=[O:19])[O-:20])[cH:21][cH:22]2)[cH:23][cH:24]1>OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1>[O:1]=[N+:2]([O-:3])[c:4]1[cH:5][cH:6][c:7]([C@@H:8]([OH:9])[CH2:10][CH2:11][C@H:12]([OH:13])[c:14]2[cH:15][cH:16][c:17]([N+:18](=[O:19])[O-:20])[cH:21][cH:22]2)[cH:23][cH:24]1 ZTOYTFFEUUYRNR-UHFFFAOYSA-N>>UWHDPSHAHWBHHT-HOTGVXAUSA-N 0.0 Unrecognized False reagent controlled False [OH;D1;+0:1]-[C@H;D3;+0:2](-[c:3])-[C:4]-[C:5]-[C@H;D3;+0:6](-[OH;D1;+0:7])-[c:8]>>[O;H0;D1;+0:1]=[C;H0;D3;+0:2](-[c:3])-[C:4]-[C:5]-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[c:8] e9387805322b6a299239a82ee8666e2c8076dd498778dd149e0678ab87c7a9a6 [O:1]=[N+:2]([O-:3])[c:4]1[c:5]([Cl:6])[cH:7][cH:8][c:9]([C:10](=[O:11])[CH2:12][CH2:13][C:14](=[O:15])[c:16]2[cH:17][c:18]([N+:19](=[O:20])[O-:21])[c:22]([Cl:23])[cH:24][cH:25]2)[cH:26]1>B.C1CCOC1.CCN(CC)c1ccccc1.COB(OC)OC.OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1>[O:1]=[N+:2]([O-:3])[c:4]1[c:5]([Cl:6])[cH:7][cH:8][c:9]([C@@H:10]([OH:11])[CH2:12][CH2:13][C@H:14]([OH:15])[c:16]2[cH:17][c:18]([N+:19](=[O:20])[O-:21])[c:22]([Cl:23])[cH:24][cH:25]2)[cH:26]1 GFTGJPAZMGHQJB-UHFFFAOYSA-N>>FZFYRLRGASAZBY-HOTGVXAUSA-N 0.0 Unrecognized False reagent controlled False [OH;D1;+0:1]-[C@H;D3;+0:2](-[c:3])-[C:4]-[C:5]-[C@H;D3;+0:6](-[OH;D1;+0:7])-[c:8]>>[O;H0;D1;+0:1]=[C;H0;D3;+0:2](-[c:3])-[C:4]-[C:5]-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[c:8] e9387805322b6a299239a82ee8666e2c8076dd498778dd149e0678ab87c7a9a6 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH2:11][C@@H:12]1[C:13](=[O:14])[c:15]1[cH:16][c:17]([F:18])[c:19]([Cl:20])[cH:21][cH:22]1>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.[Li+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH2:11][C@@H:12]1[C@H:13]([OH:14])[c:15]1[cH:16][c:17]([F:18])[c:19]([Cl:20])[cH:21][cH:22]1 BSXABVFDEVPHHL-CYBMUJFWSA-N>>NXNZHNLQTZGTOW-ZIAGYGMSSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@H;D3;+0:3](-[OH;D1;+0:4])-[c:5]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](=[O;H0;D1;+0:4])-[c:5] 24bd21e01ae6832b448f5ff180c8f19c1bab0319ab6ecd5e16239727690fa2af O[OH:12].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[nH:9][c:10]([S:11][CH2:13][c:14]1[n:15][cH:16][c:17]([CH3:18])[c:19]([Cl:20])[c:21]1[CH3:22])[n:23]2>CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)c1ccccc1.CCN(C(C)C)C(C)C.CCOC(=O)[C@@H](O)[C@H](O)C(=O)OCC.Cc1ccccc1.O.[Ti+4]>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[nH:9][c:10]([S@@:11](=[O:12])[CH2:13][c:14]1[n:15][cH:16][c:17]([CH3:18])[c:19]([Cl:20])[c:21]1[CH3:22])[n:23]2 MHAJPDPJQMAIIY-UHFFFAOYSA-N.UPVARCHBWKDWRW-UHFFFAOYSA-N>>LZEPUBIBIWJUSW-QHCPKHFHSA-N 0.0 Unrecognized False reagent controlled False [#7;a:2]:[c:3](:[#7;a:4])-[S@;H0;D3;+0:5](-[C:6])=[O;H0;D1;+0:1]>>O-[OH;D1;+0:1].[#7;a:2]:[c:3](:[#7;a:4])-[S;H0;D2;+0:5]-[C:6] 5823de46f4ff6c34944529f5b9e9334c21ead8bda072ef34c8ca1dc94bb2fb05 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C@H:10]2[CH2:11][CH2:12][C:13](=[O:14])[C@H:15]2[CH2:16]1>C1CCOC1.O.OO>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C@H:10]2[CH2:11][CH2:12][C@@H:13]([OH:14])[C@H:15]2[CH2:16]1 MZQZNAQWIOWKSR-BDAKNGLRSA-N>>LVSMJGHUOLKTJI-KXUCPTDWSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d O=P(c1ccccc1)(c1ccccc1)[N:9]=[N+:10]=[N-:11].O[C@H:8]1[CH2:7][CH2:6][C@@H:5]([O:4][CH2:3][C@H:2]([CH3:1])[NH:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:12]1>CC(C)OC(=O)N=NC(=O)OC(C)C.Cc1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][C@@H:2]([CH2:3][O:4][C@H:5]1[CH2:6][CH2:7][C@H:8]([N:9]=[N+:10]=[N-:11])[CH2:12][CH2:13]1)[NH:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21] FNXLXBLBLYELOZ-SDDRHHMPSA-N.MKRTXPORKIRPDG-UHFFFAOYSA-N>>YFRYMEGISALVEW-SRVKXCTJSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C:3].O=P(-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6])(-c1:c:c:c:c:c:1)-c1:c:c:c:c:c:1 1dfe6fc86feb2fcbb977c63bc91c9fcde39b2898f3a59bc75335a8ddd198fe1a N[C@@H:8]([CH2:7][CH2:6][CH2:5][CH2:4][NH:3][C:2](=[O:1])[O:13][CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[C:10](=[O:11])[OH:12].[BrH:9]>NC(CCCCNC(=O)OCc1ccccc1)C(=O)O.Br.[K+]>[O:1]=[C:2]([NH:3][CH2:4][CH2:5][CH2:6][CH2:7][C@H:8]([Br:9])[C:10](=[O:11])[OH:12])[O:13][CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1 CKGCFBNYQJDIGS-LBPRGKRZSA-N.CPELXLSAUQHCOX-UHFFFAOYSA-N>>OXQQKWULRCDZHD-LBPRGKRZSA-N 0.0 Unrecognized False stereospecific False [Br;H0;D1;+0:6]-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[BrH;D0;+0:6] 725b99ce5395867b212156ab1585cf7caca701dd3055539d65ad5fa62af6db35 O[OH:12].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[nH:9][c:10]([S:11][CH2:13][c:14]1[n:15][cH:16][c:17]([CH3:18])[c:19]([Cl:20])[c:21]1[CH3:22])[n:23]2>CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC(C)c1ccccc1.CCN(C(C)C)C(C)C.CCOC(=O)[C@@H](O)[C@H](O)C(=O)OCC.Cc1ccccc1.O.[Ti+4]>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[nH:9][c:10]([S@@:11](=[O:12])[CH2:13][c:14]1[n:15][cH:16][c:17]([CH3:18])[c:19]([Cl:20])[c:21]1[CH3:22])[n:23]2 MHAJPDPJQMAIIY-UHFFFAOYSA-N.UPVARCHBWKDWRW-UHFFFAOYSA-N>>LZEPUBIBIWJUSW-QHCPKHFHSA-N 0.0 Unrecognized False reagent controlled True [#7;a:2]:[c:3](:[#7;a:4])-[S@@;H0;D3;+0:5](-[C:6])=[O;H0;D1;+0:1]>>O-[OH;D1;+0:1].[#7;a:2]:[c:3](:[#7;a:4])-[S;H0;D2;+0:5]-[C:6] aa18beffd30049606428ab1c7c6658517de35e4a7c80e5d754b5ffe6dee4a822 O[C@H:2]([CH3:1])[c:3]1[cH:4][c:5]2[cH:6][cH:7][cH:8][c:9]([F:10])[c:11]2[n:12][c:13]1[Cl:14].[NH:15]1[C:16](=[O:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[C:24]1=[O:25]>C1CCOC1.CC(C)OC(=O)/N=N/C(=O)OC(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][C@@H:2]([c:3]1[cH:4][c:5]2[cH:6][cH:7][cH:8][c:9]([F:10])[c:11]2[n:12][c:13]1[Cl:14])[N:15]1[C:16](=[O:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[C:24]1=[O:25] JBRURSIBROVKPT-ZCFIWIBFSA-N.XKJCHHZQLQNZHY-UHFFFAOYSA-N>>WYKFITLTLHZQAQ-JTQLQIEISA-N 0.0 Unrecognized False stereospecific False [#7;a:5]:[c:4]:[c:3]-[C@H;D3;+0:1](-[C;D1;H3:2])-[N;H0;D3;+0:8]1-[C:7](=[O;D1;H0:6])-[c:16]2:[c:15]:[c:14]:[c:13]:[c:12]:[c:11]:2-[C:9]-1=[O;D1;H0:10]>>O-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3]:[c:4]:[#7;a:5].[O;D1;H0:6]=[C:7]1-[NH;D2;+0:8]-[C:9](=[O;D1;H0:10])-[c:11]2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2-1 65dbe09df6984a50c39c11ea8efa0bee813439aeb71d442598e2eb9b06070cf1 O[C@H:2]([CH3:1])[c:3]1[cH:4][c:5]2[cH:6][cH:7][c:8]([F:9])[cH:10][c:11]2[n:12][c:13]1[Cl:14].[NH:15]1[C:16](=[O:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[C:24]1=[O:25]>C1CCOC1.CC(C)OC(=O)/N=N/C(=O)OC(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][C@@H:2]([c:3]1[cH:4][c:5]2[cH:6][cH:7][c:8]([F:9])[cH:10][c:11]2[n:12][c:13]1[Cl:14])[N:15]1[C:16](=[O:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[C:24]1=[O:25] PXMSDTLRHKWICJ-ZCFIWIBFSA-N.XKJCHHZQLQNZHY-UHFFFAOYSA-N>>RAGFFLUQSNSOCF-JTQLQIEISA-N 0.0 Unrecognized False stereospecific False [#7;a:5]:[c:4]:[c:3]-[C@H;D3;+0:1](-[C;D1;H3:2])-[N;H0;D3;+0:8]1-[C:7](=[O;D1;H0:6])-[c:16]2:[c:15]:[c:14]:[c:13]:[c:12]:[c:11]:2-[C:9]-1=[O;D1;H0:10]>>O-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3]:[c:4]:[#7;a:5].[O;D1;H0:6]=[C:7]1-[NH;D2;+0:8]-[C:9](=[O;D1;H0:10])-[c:11]2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2-1 65dbe09df6984a50c39c11ea8efa0bee813439aeb71d442598e2eb9b06070cf1 [CH3:1][C:2]1=[CH:3][CH2:4][C@H:5]([C:6](=[O:7])[N:8]2[C:9](=[O:10])[O:11][CH2:12][C@@H:13]2[CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[C@@H:21]([CH3:22])[CH2:23]1>CCO.[Pd]>[CH3:1][C@H:2]1[CH2:3][CH2:4][C@H:5]([C:6](=[O:7])[N:8]2[C:9](=[O:10])[O:11][CH2:12][C@@H:13]2[CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[C@@H:21]([CH3:22])[CH2:23]1 WJFAREKOMAHCLP-XIRDDKMYSA-N>>HKHNYYFEAJMKOD-OTRWWLKZSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C;D1;H3:3])-[CH2;D2;+0:4]-[C:5]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[CH;D2;+0:4]-[C:5] 05675f9eecea9fed6ca08fc4581511e42ec4fea0ca77351e260a499df9546024 O[C@@H:5]1[CH2:6][CH2:7][N:8]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:16]1.[CH3:1][C:2]([OH:3])=[S:4]>C1CCOC1.CCOC(=O)/N=N/C(=O)OCC.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][C:2](=[O:3])[S:4][C@H:5]1[CH2:6][CH2:7][N:8]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:16]1 APCBTRDHCDOPNY-SSDOTTSWSA-N.DUYAAUVXQSMXQP-UHFFFAOYSA-N>>KYLJPUGKGHFDOL-VIFPVBQESA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:8]-[C;H0;D3;+0:6](-[C;D1;H3:5])=[O;H0;D1;+0:7]>>O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C;D1;H3:5]-[C;H0;D3;+0:6](-[OH;D1;+0:7])=[S;H0;D1;+0:8] 258aaca3de4bb9ebe7a1dc7729deb36fbb5b5c20cc04887912a0f6986471e8b2 O[C@H:2]([CH3:1])[c:3]1[c:4]([Cl:5])[n:6][c:7]2[s:8][c:9]([Cl:10])[cH:11][c:12]2[cH:13]1.[NH:14]1[C:15](=[O:16])[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[C:23]1=[O:24]>C1CCOC1.CC(C)OC(=O)N=NC(=O)OC(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][C@@H:2]([c:3]1[c:4]([Cl:5])[n:6][c:7]2[s:8][c:9]([Cl:10])[cH:11][c:12]2[cH:13]1)[N:14]1[C:15](=[O:16])[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2[C:23]1=[O:24] BEYJSVSBHUTNJR-SCSAIBSYSA-N.XKJCHHZQLQNZHY-UHFFFAOYSA-N>>IBTYSMCIAQFPEZ-QMMMGPOBSA-N 0.0 Unrecognized False stereospecific False [#7;a:5]:[c:4]:[c:3]-[C@H;D3;+0:1](-[C;D1;H3:2])-[N;H0;D3;+0:8]1-[C:7](=[O;D1;H0:6])-[c:16]2:[c:15]:[c:14]:[c:13]:[c:12]:[c:11]:2-[C:9]-1=[O;D1;H0:10]>>O-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3]:[c:4]:[#7;a:5].[O;D1;H0:6]=[C:7]1-[NH;D2;+0:8]-[C:9](=[O;D1;H0:10])-[c:11]2:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:2-1 65dbe09df6984a50c39c11ea8efa0bee813439aeb71d442598e2eb9b06070cf1 [CH3:1][CH:2]([CH3:3])[Si:4]([O:5][C@@H:6]1[CH2:7][CH2:8][C@@H:9]([c:10]2[c:11]([F:12])[c:13]([F:14])[cH:15][cH:16][cH:17]2)[C:18](=[O:19])[c:20]2[cH:21][cH:22][cH:23][n:24][c:25]21)([CH:26]([CH3:27])[CH3:28])[CH:29]([CH3:30])[CH3:31]>COC1CCCC1.B.[Li+]>[CH3:1][CH:2]([CH3:3])[Si:4]([O:5][C@@H:6]1[CH2:7][CH2:8][C@@H:9]([c:10]2[c:11]([F:12])[c:13]([F:14])[cH:15][cH:16][cH:17]2)[C@H:18]([OH:19])[c:20]2[cH:21][cH:22][cH:23][n:24][c:25]21)([CH:26]([CH3:27])[CH3:28])[CH:29]([CH3:30])[CH3:31] AIVVBBARCYSYDU-SIKLNZKXSA-N>>HFAMMJDRXIUNAY-SWHJIRTISA-N 0.0 Unrecognized False substrate controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 8195ad48987c12d459870b75bedef46a37480b4c6c44771b180631aa2774a53a O=[C:12]1[CH2:11][CH2:10][C@@H:9]([c:8]2[cH:7][cH:6][c:5]([C:3]([O:2][CH3:1])=[O:4])[cH:27][cH:26]2)[CH2:25]1.[NH2:13][C@H:14]([CH3:15])[c:16]1[cH:17][c:18]([O:19][CH3:20])[c:21]([F:22])[cH:23][cH:24]1>Cl>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([C@@H:9]2[CH2:10][CH2:11][C@H:12]([NH:13][C@H:14]([CH3:15])[c:16]3[cH:17][c:18]([O:19][CH3:20])[c:21]([F:22])[cH:23][cH:24]3)[CH2:25]2)[cH:26][cH:27]1 OITDJNXTOFVJCL-LLVKDONJSA-N.ZYUQFKDHMDFLHO-ZCFIWIBFSA-N>>POLZBLXYUYGBNN-ZMYBRWDISA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:1](-[C:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 8d7f71fe86028e9e12d66697fadec826dce8c59099c83dd66a3093c4f969778a O=[C:12]1[CH2:13][CH2:14][C@@H:15]([c:16]2[cH:17][cH:18][c:19]([C:20]#[N:21])[cH:22][cH:23]2)[CH2:24]1.[CH3:1][O:2][c:3]1[c:4]([F:5])[cH:6][cH:7][c:8]([C@@H:9]([CH3:10])[NH2:11])[cH:25]1>Cl>[CH3:1][O:2][c:3]1[c:4]([F:5])[cH:6][cH:7][c:8]([C@@H:9]([CH3:10])[NH:11][C@H:12]2[CH2:13][CH2:14][C@@H:15]([c:16]3[cH:17][cH:18][c:19]([C:20]#[N:21])[cH:22][cH:23]3)[CH2:24]2)[cH:25]1 DAJJPEJONXVOKT-LLVKDONJSA-N.ZYUQFKDHMDFLHO-ZCFIWIBFSA-N>>YNMZTKOKQMZVIH-ZMYBRWDISA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 e2359fb816f6bae4d842f90c85938e1b4e834430a7315ba854d2d2cb224bedee O=[C:12]1[CH2:13][CH2:14][C@@H:15]([c:16]2[cH:17][cH:18][c:19]([Br:20])[cH:21][cH:22]2)[CH2:23]1.[CH3:1][O:2][c:3]1[c:4]([F:5])[cH:6][cH:7][c:8]([C@@H:9]([CH3:10])[NH2:11])[cH:24]1>Cl>[CH3:1][O:2][c:3]1[c:4]([F:5])[cH:6][cH:7][c:8]([C@@H:9]([CH3:10])[NH:11][C@H:12]2[CH2:13][CH2:14][C@@H:15]([c:16]3[cH:17][cH:18][c:19]([Br:20])[cH:21][cH:22]3)[CH2:23]2)[cH:24]1 AJKPXKHWCHZLSF-SECBINFHSA-N.ZYUQFKDHMDFLHO-ZCFIWIBFSA-N>>AXGWMFFJUQFAEF-QBIMZIAESA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 e2359fb816f6bae4d842f90c85938e1b4e834430a7315ba854d2d2cb224bedee [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[C@@H:8]1[CH2:9][CH2:10][C:11](=[O:12])[CH2:13][N:14]1[C:15](=[O:16])[O:17][CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1>CCO.B.Cl.N.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[C@@H:8]1[CH2:9][CH2:10][C@H:11]([OH:12])[CH2:13][N:14]1[C:15](=[O:16])[O:17][CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1 VNEDQUMEBRVGBT-HNNXBMFYSA-N>>KMSRJMVNUNMETQ-GJZGRUSLSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 24a10c55c777a445640c9a082c0e3e06b05e2ae67a251c9c99a2481cce24d018 O[N:1]=[C:2]1[CH2:3][CH2:4][CH2:5][C@H:6]1[C@@H:7]([OH:8])[C:9]1([c:10]2[cH:11][c:12]([Cl:13])[c:14]([Cl:15])[cH:16][cH:17]2)[CH2:18][CH2:19][CH2:20]1>CO.O.[Ni]>[NH2:1][C@@H:2]1[CH2:3][CH2:4][CH2:5][C@H:6]1[C@@H:7]([OH:8])[C:9]1([c:10]2[cH:11][c:12]([Cl:13])[c:14]([Cl:15])[cH:16][cH:17]2)[CH2:18][CH2:19][CH2:20]1 VWZFITPLFMIBTO-IAQYHMDHSA-N>>GAYPPLZTWASWLX-KCPJHIHWSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@H;D3;+0:2](-[C:4])-[NH2;D1;+0:1]>>O-[N;H0;D2;+0:1]=[C;H0;D3;+0:2](-[C:3])-[C:4] d607d05b46bcb6cbf83871aff9593711e3d72c643f6aceb4e2529f8cb0d4e4fd Br[CH2:9][c:10]1[cH:11][cH:12][c:13]([F:14])[cH:15][cH:16]1.[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]1[CH2:7][CH2:8][C:17](=[O:18])[N:19]1[C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]1[CH2:7][C@@H:8]([CH2:9][c:10]2[cH:11][cH:12][c:13]([F:14])[cH:15][cH:16]2)[C:17](=[O:18])[N:19]1[C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26] NVNPLEPBDPJYRZ-UHFFFAOYSA-N.YWWWGFSJHCFVOW-QMMMGPOBSA-N>>KGNFNKBAOMQYJS-HIFRSBDPSA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[C:7])-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]-[C:4](=[O;D1;H0:5])-[CH2;D2;+0:6]-[C:7] f5b34d4e85989cf9c6bd7da35887728ff2172ffe1e9da70d2e850fb1076c7320 Br[CH2:4][c:3]1[c:2]([CH3:1])[cH:29][c:27]([F:28])[cH:26][cH:25]1.[CH2:5]1[CH2:6][C@@H:7]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[N:15]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[C:23]1=[O:24]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][c:2]1[c:3]([CH2:4][C@@H:5]2[CH2:6][C@@H:7]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[N:15]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[C:23]2=[O:24])[cH:25][cH:26][c:27]([F:28])[cH:29]1 DAKPIAWEPVZDNG-UHFFFAOYSA-N.INVKHBRFFCQICU-VIFPVBQESA-N>>JAUDDYOZBALGSD-WBVHZDCISA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[C:7])-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]-[C:4](=[O;D1;H0:5])-[CH2;D2;+0:6]-[C:7] f5b34d4e85989cf9c6bd7da35887728ff2172ffe1e9da70d2e850fb1076c7320 [CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[n:7][n:8]2[c:9]([cH:10]1)[n:11][c:12]([CH3:13])[c:14]([C:15](=[O:16])[C:17](=[O:18])[O:19][CH2:20][CH3:21])[c:22]2[I:23]>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[n:7][n:8]2[c:9]([cH:10]1)[n:11][c:12]([CH3:13])[c:14]([C@H:15]([OH:16])[C:17](=[O:18])[O:19][CH2:20][CH3:21])[c:22]2[I:23] AVNZZKGENNMGRV-UHFFFAOYSA-N>>ZYMOIJMXHDCJAL-NSHDSACASA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C:11]-[C;D1;H3:12]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C:11]-[C;D1;H3:12] 5276d962db1f404e9b6cf2e27c0a83f30b8e4593b0e9bbfb2995d4c68307c42c [CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[n:7][n:8]2[c:9]([cH:10]1)[n:11][c:12]([CH3:13])[c:14]([C:15](=[O:16])[C:17](=[O:18])[O:19][CH2:20][CH3:21])[c:22]2[I:23]>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[n:7][n:8]2[c:9]([cH:10]1)[n:11][c:12]([CH3:13])[c:14]([C@H:15]([OH:16])[C:17](=[O:18])[O:19][CH2:20][CH3:21])[c:22]2[I:23] AVNZZKGENNMGRV-UHFFFAOYSA-N>>ZYMOIJMXHDCJAL-NSHDSACASA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C:11]-[C;D1;H3:12]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C:11]-[C;D1;H3:12] de0e028e524c2ca0f7aedabf56740fdcf42a4b975c66c747c9b7edb7336ba9d5 I[CH2:15]I.[CH3:1][C:2](=[O:3])[NH:4][C@@H:5]1[CH2:6][C@H:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[CH:14]=[CH:16]1>CC[Zn]CC.COC(C)(C)C.Cl.ClCCl.O.O=S(O)(O)=S.Cl.[Na+].[Na+].[Na+]>[CH3:1][C:2](=[O:3])[NH:4][C@@H:5]1[CH2:6][C@H:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[C@@H:14]2[CH2:15][C@H:16]12 JWRDFGPGTJKAKV-OLZOCXBDSA-N.NZZFYRREKKOMAT-UHFFFAOYSA-N>>VOVFLRUFTIVPRM-ZOBORPQBSA-N 0.0 Unrecognized True substrate controlled False [C@H;D3;+0:2]1-[C@H;D3;+0:3]-[CH2;D2;+0:1]-1>>I-[CH2;D2;+0:1]-I.[CH;D2;+0:2]=[CH;D2;+0:3] 20497e817010d7eda8f84581192f97917497af5a58f162c260868cd9705967b8 O[C@H:15]1[CH2:16][CH2:17][c:18]2[c:19]([Br:20])[c:21]([C:22]([F:23])([F:24])[F:25])[cH:26][cH:27][c:28]21.[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([OH:14])[cH:29]2>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:14][C@@H:15]1[CH2:16][CH2:17][c:18]3[c:19]([Br:20])[c:21]([C:22]([F:23])([F:24])[F:25])[cH:26][cH:27][c:28]31)[cH:29]2 JTUIVQVAMRVPQI-QMMMGPOBSA-N.RHMDISFJOKCCAQ-SSDOTTSWSA-N>>MFAIEJRQAOBUMD-PIGZYNQJSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de I[c:3]1[c:2]([F:1])[cH:26][cH:25][c:23]([Br:24])[cH:22]1.[C:4]12=[N:21][O:20][CH2:19][C@@H:18]1[CH2:17][C@H:7]([CH2:8][O:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[O:6][CH2:5]2>Cc1ccccc1.Cl.[Li]CCCC.N>[F:1][c:2]1[c:3]([C@:4]23[CH2:5][O:6][C@@H:7]([CH2:8][O:9][CH2:10][c:11]4[cH:12][cH:13][cH:14][cH:15][cH:16]4)[CH2:17][C@H:18]2[CH2:19][O:20][NH:21]3)[cH:22][c:23]([Br:24])[cH:25][cH:26]1 JNETZJWWXCLUKM-UHFFFAOYSA-N.LXYBKZVFHKHLSR-QWHCGFSZSA-N>>OYLAOWCOPPLBGY-VPWXQRGCSA-N 0.0 Unrecognized False substrate controlled False [#8:4]-[NH;D2;+0:5]-[C@;H0;D4;+0:6](-[C:7])(-[C:8]-[#8:9])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>I-[c;H0;D3;+0:1](:[c:2]):[c:3].[#8:4]-[N;H0;D2;+0:5]=[C;H0;D3;+0:6](-[C:7])-[C:8]-[#8:9] b5b6e89b79159004b1c7a9a3c723eb46a959bd81f44aa0225fcc3015b8f13513 CS(=O)(=O)O[C@@H:5]([CH2:4][c:3]1[c:2]([CH3:1])[cH:14][cH:13][c:11]([F:12])[cH:10]1)[CH3:6].[N-:7]=[N+:8]=[N-:9]>CN(C)C=O.O.[Na+]>[CH3:1][c:2]1[c:3]([CH2:4][C@H:5]([CH3:6])[N:7]=[N+:8]=[N-:9])[cH:10][c:11]([F:12])[cH:13][cH:14]1 IVRMZWNICZWHMI-UHFFFAOYSA-N.QIAVLTGKFULMLY-SECBINFHSA-N>>ZNWKAALPGXPDFS-QMMMGPOBSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] e79cd9ff929b7823a9a1d3ebd47f2eb0444b747171361724dee4b1aadfcac2ef Br[CH2:14][c:15]1[cH:16][cH:17][c:18]2[n:19][cH:20][cH:21][cH:22][c:23]2[cH:24]1.[CH3:1][O:2][C:3]1=[N:4][C@H:5]([CH:6]([CH3:7])[CH3:8])[C:9]([O:10][CH3:11])=[N:12][CH2:13]1>C1CCOC1.[Li]CCCC>[CH3:1][O:2][C:3]1=[N:4][C@H:5]([CH:6]([CH3:7])[CH3:8])[C:9]([O:10][CH3:11])=[N:12][C@H:13]1[CH2:14][c:15]1[cH:16][cH:17][c:18]2[n:19][cH:20][cH:21][cH:22][c:23]2[cH:24]1 FCFWEOGTZZPCTO-MRVPVSSYSA-N.ZPTNKPYDDZEAPA-UHFFFAOYSA-N>>CGUYELFPMZCSID-DLBZAZTESA-N 0.0 Unrecognized False substrate controlled False [#7:3]=[C:4]-[C@@H;D3;+0:5](-[#7:6]=[C:7])-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]=[C:4]-[CH2;D2;+0:5]-[#7:6]=[C:7] 8ae87320ea55b898c068a2bfc341489ff469f2b58b37d2addc3e7e398f6c02b1 [O:1]=[C:2]([NH:3][C@H:4]1[CH2:5][CH2:6][C:7](=[O:8])[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]21)[C:15]([F:16])([F:17])[F:18]>CCN(CC)CC.CN(C)C=O>[O:1]=[C:2]([NH:3][C@H:4]1[CH2:5][CH2:6][C@@H:7]([OH:8])[c:9]2[cH:10][cH:11][cH:12][cH:13][c:14]21)[C:15]([F:16])([F:17])[F:18] KDYIVXBRLQJKII-VIFPVBQESA-N>>AXJYCNKOMPOOHT-VHSXEESVSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1-[C@@H;D3;+0:9](-[C:10])-[OH;D1;+0:11]>>[#7:1]-[C:2]-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1-[C;H0;D3;+0:9](-[C:10])=[O;H0;D1;+0:11] 090621e4c35ee5b205f14f32becef21241843107894831ab155f345ad9d11f30 [CH3:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[cH:15][cH:16]1>C1CCOC1.CCCCCC.C[C@H]1[C@H](B(Cl)[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C.OCCNCCO>[CH3:1][C@H:2]([OH:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[cH:15][cH:16]1 QXQXBZLXIAUIBG-UHFFFAOYSA-N>>ZKCFKELMWBDKST-VIFPVBQESA-N 0.0 Unrecognized False reagent controlled False [C:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[c:5]1:[c:6]:[c:7]:[c:8](-[C@H;D3;+0:9](-[C;D1;H3:10])-[OH;D1;+0:11]):[c:12]:[c:13]:1>>[C:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[c:5]1:[c:6]:[c:7]:[c:8](-[C;H0;D3;+0:9](-[C;D1;H3:10])=[O;H0;D1;+0:11]):[c:12]:[c:13]:1 4cff05ad9f13a4baf2032af4380be596a7085da0a729612a6221054140cb3120 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11](=[O:12])[C:13]([CH3:14])([CH3:15])[CH2:16]1>C1CCOC1.CCOCC.C[C@@H]1C2CCC(C[C@H]1B(Cl)[C@@H]1CC3CCC([C@H]1C)C3(C)C)C2(C)C.OCCNCCO>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C@H:11]([OH:12])[C:13]([CH3:14])([CH3:15])[CH2:16]1 MXCAGVCUIHYAGH-UHFFFAOYSA-N>>QZMUVNRDYLNZDA-VIFPVBQESA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[cH:15][cH:16]1>C1CCOC1.CCCCCC.C[C@H]1[C@H](B(Cl)[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C.OCCNCCO>[CH3:1][C@H:2]([OH:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[cH:15][cH:16]1 QXQXBZLXIAUIBG-UHFFFAOYSA-N>>ZKCFKELMWBDKST-VIFPVBQESA-N 0.0 Unrecognized False reagent controlled True [C:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[c:5]1:[c:6]:[c:7]:[c:8](-[C@@H;D3;+0:9](-[C;D1;H3:10])-[OH;D1;+0:11]):[c:12]:[c:13]:1>>[C:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[c:5]1:[c:6]:[c:7]:[c:8](-[C;H0;D3;+0:9](-[C;D1;H3:10])=[O;H0;D1;+0:11]):[c:12]:[c:13]:1 d01a8c2a652585c68b27cf7afb51e0f226b3584dc692dc384bdc3643d1930c8f [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C:11](=[O:12])[C:13]([CH3:14])([CH3:15])[CH2:16]1>C1CCOC1.CCOCC.C[C@@H]1C2CCC(C[C@H]1B(Cl)[C@@H]1CC3CCC([C@H]1C)C3(C)C)C2(C)C.OCCNCCO>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C@H:11]([OH:12])[C:13]([CH3:14])([CH3:15])[CH2:16]1 MXCAGVCUIHYAGH-UHFFFAOYSA-N>>QZMUVNRDYLNZDA-VIFPVBQESA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d O[N:21]=[C:20]1[C@@:7]2([CH2:8][S:9](=[O:10])(=[O:11])[NH:12][CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[C:2]([CH3:1])([CH3:3])[C@H:4]([CH2:5][CH2:6]2)[CH2:22]1>CC(=O)O.CC(C)(C)N.CCO.CCOC(C)=O.Cl.[Na+]>[CH3:1][C:2]1([CH3:3])[C@@H:4]2[CH2:5][CH2:6][C@@:7]1([CH2:8][S:9](=[O:10])(=[O:11])[NH:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[C@H:20]([NH2:21])[CH2:22]2 NUQVQAFTAAEOOG-RHSMWYFYSA-N>>DUGVPFYWJVLYJY-BFYDXBDKSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@H;D3;+0:2](-[C:4])-[NH2;D1;+0:1]>>O-[N;H0;D2;+0:1]=[C;H0;D3;+0:2](-[C:3])-[C:4] d607d05b46bcb6cbf83871aff9593711e3d72c643f6aceb4e2529f8cb0d4e4fd CC[Zn][CH2:2][CH3:1].[CH:3](=[O:4])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1>CC1(C)[C@@H]2CC[C@@]1(CS)[C@H](N1CCOCC1)C2.CCOC(C)=O.Cl.Cl.N>[CH3:1][CH2:2][C@@H:3]([OH:4])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1 HQWPLXHWEZZGKY-UHFFFAOYSA-N.HUMNYLRZRPPJDN-UHFFFAOYSA-N>>DYUQAZSOFZSPHD-SECBINFHSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:2]-[CH2;D2;+0:1]-[C@@H;D3;+0:4](-[OH;D1;+0:3])-[c:5]>>C-C-[Zn]-[CH2;D2;+0:1]-[C;D1;H3:2].[O;H0;D1;+0:3]=[CH;D2;+0:4]-[c:5] f1324002e119baa082b7ec39d866f9b702faa0502e5ff1185780c296fdad4068 I[c:6]1[c:4]([F:5])[cH:3][c:2]([F:1])[cH:26][cH:25]1.[C:7]12=[N:24][O:23][CH2:22][C@@H:21]1[CH2:20][C@H:10]([CH2:11][O:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[O:9][CH2:8]2>CC(C)OC(C)C.CCOCC.Cc1ccccc1.FB(F)F.[Li]CCCC>[F:1][c:2]1[cH:3][c:4]([F:5])[c:6]([C@:7]23[CH2:8][O:9][C@@H:10]([CH2:11][O:12][CH2:13][c:14]4[cH:15][cH:16][cH:17][cH:18][cH:19]4)[CH2:20][C@H:21]2[CH2:22][O:23][NH:24]3)[cH:25][cH:26]1 LXYBKZVFHKHLSR-QWHCGFSZSA-N.YKLDMAPEGQYZRT-UHFFFAOYSA-N>>SPERJVBJQROOBN-VPWXQRGCSA-N 0.0 Unrecognized False substrate controlled False [#8:4]-[NH;D2;+0:5]-[C@;H0;D4;+0:6](-[C:7])(-[C:8]-[#8:9])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>I-[c;H0;D3;+0:1](:[c:2]):[c:3].[#8:4]-[N;H0;D2;+0:5]=[C;H0;D3;+0:6](-[C:7])-[C:8]-[#8:9] b5b6e89b79159004b1c7a9a3c723eb46a959bd81f44aa0225fcc3015b8f13513 O[C@@H:2]([CH3:1])[CH2:3][N:4]([CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18].[NH:19]1[C:20](=[O:21])[c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[C:28]1=[O:29]>C1CCOC1.CC(C)OC(=O)N=NC(=O)OC(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][C@H:2]([CH2:3][N:4]([CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[N:19]1[C:20](=[O:21])[c:22]2[cH:23][cH:24][cH:25][cH:26][c:27]2[C:28]1=[O:29] FEFBROWGRSCWGE-LBPRGKRZSA-N.XKJCHHZQLQNZHY-UHFFFAOYSA-N>>KPJZQMZRJIJRMC-MRXNPFEDSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D3;+0:6]1-[C:5](=[O;D1;H0:4])-[c:14]2:[c:13]:[c:12]:[c:11]:[c:10]:[c:9]:2-[C:7]-1=[O;D1;H0:8]>>O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[O;D1;H0:4]=[C:5]1-[NH;D2;+0:6]-[C:7](=[O;D1;H0:8])-[c:9]2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2-1 3e5f201ae0ac5c8babd87c44ebeaeccc61d4003f67f56ea4bd48b0851de576aa [CH3:1][CH2:2][NH:3][C:4]1=[N:5][C@H:6]2[C@H:7]([O:8][C@H:9]([C:10](=[O:11])[CH2:12][CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[C@@H:20]([OH:21])[C@@H:22]2[OH:23])[S:24]1>CO.B.[Na+]>[CH3:1][CH2:2][NH:3][C:4]1=[N:5][C@H:6]2[C@H:7]([O:8][C@H:9]([C@@H:10]([OH:11])[CH2:12][CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[C@@H:20]([OH:21])[C@@H:22]2[OH:23])[S:24]1 UQPLRTAMSBBZTG-IBEHDNSVSA-N>>UISRUHJQLTVFIC-RCZWDNKTSA-N 0.0 Unrecognized False substrate controlled False [#8:1]-[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#8:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] acd65360c41d94aad84f54104b4be3e8d3b157bdb1eb571ebb7df7c4147c5c5e CC[Zn][CH2:2][CH3:1].[CH:3](=[O:4])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1>CC1(C)[C@@H]2CC[C@@]1(CS)[C@H](N1CCOCC1)C2.CCOC(C)=O.Cl.Cl.N>[CH3:1][CH2:2][C@@H:3]([OH:4])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1 HQWPLXHWEZZGKY-UHFFFAOYSA-N.HUMNYLRZRPPJDN-UHFFFAOYSA-N>>DYUQAZSOFZSPHD-SECBINFHSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:2]-[CH2;D2;+0:1]-[C@H;D3;+0:4](-[OH;D1;+0:3])-[c:5]>>C-C-[Zn]-[CH2;D2;+0:1]-[C;D1;H3:2].[O;H0;D1;+0:3]=[CH;D2;+0:4]-[c:5] fd1c6ecf5cbd624bbf7042a0d355da62ceeb3827cf936238fa314cabf5bccbc2 [CH3:1][n:2]1[n:3][cH:4][cH:5][c:6]1[C@H:7]1[CH2:8][C:9](=[O:10])[CH2:11][CH2:12][C@@H:13]1[O:14][C:15](=[O:16])[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1>CCO.O.B.[Na+]>[CH3:1][n:2]1[n:3][cH:4][cH:5][c:6]1[C@H:7]1[CH2:8][C@@H:9]([OH:10])[CH2:11][CH2:12][C@@H:13]1[O:14][C:15](=[O:16])[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1 AIMNYMWWJIVLKH-ZBFHGGJFSA-N>>ZTSFYAHQAWEQDN-LZWOXQAQSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d O=S(=O)(O[C@@H:13]([c:14]1[cH:15][cH:16][c:17]([Cl:18])[n:19][cH:20]1)[C:21]([F:22])([F:23])[F:24])C(F)(F)F.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@H:9]1[CH2:10][CH2:11][NH:12][CH2:25]1>C1CCOC1.CCCCCC.CCOC(C)=O.CCOCC.O.O=C(O)O.[K+].[K+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@H:9]1[CH2:10][CH2:11][N:12]([C@H:13]([c:14]2[cH:15][cH:16][c:17]([Cl:18])[n:19][cH:20]2)[C:21]([F:22])([F:23])[F:24])[CH2:25]1 DQQJBEAXSOOCPG-ZETCQYMHSA-N.NQHBUZRTLSGSPG-LURJTMIESA-N>>HHJICGBHXQTOFB-WCQYABFASA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:3]:[c:2]-[C@@H;D3;+0:1](-[N;H0;D3;+0:10](-[C:9])-[C:11])-[C:5](-[F;D1;H0:6])(-[F;D1;H0:7])-[F;D1;H0:8]>>F-C(-F)(-F)-S(=O)(=O)-O-[C@@H;D3;+0:1](-[c:2]:[c:3]:[#7;a:4])-[C:5](-[F;D1;H0:6])(-[F;D1;H0:7])-[F;D1;H0:8].[C:9]-[NH;D2;+0:10]-[C:11] c3dfd732f4548aef283772f03d7d327b6951a780578e49f6006059bc28c1a020 O=S(=O)(O[C@@H:16]([c:17]1[cH:18][cH:19][c:20]([Cl:21])[n:22][cH:23]1)[C:24]([F:25])([F:26])[F:27])C(F)(F)F.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][F:11])[C@H:12]1[CH2:13][CH2:14][NH:15][CH2:28]1>C1CCOC1.O=C(O)O.[K+].[K+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][CH2:10][F:11])[C@H:12]1[CH2:13][CH2:14][N:15]([C@H:16]([c:17]2[cH:18][cH:19][c:20]([Cl:21])[n:22][cH:23]2)[C:24]([F:25])([F:26])[F:27])[CH2:28]1 CAOBHHRWVCZUDW-VIFPVBQESA-N.NQHBUZRTLSGSPG-LURJTMIESA-N>>FXCFHWJSRMRVSX-DZGCQCFKSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:3]:[c:2]-[C@@H;D3;+0:1](-[N;H0;D3;+0:10](-[C:9])-[C:11])-[C:5](-[F;D1;H0:6])(-[F;D1;H0:7])-[F;D1;H0:8]>>F-C(-F)(-F)-S(=O)(=O)-O-[C@@H;D3;+0:1](-[c:2]:[c:3]:[#7;a:4])-[C:5](-[F;D1;H0:6])(-[F;D1;H0:7])-[F;D1;H0:8].[C:9]-[NH;D2;+0:10]-[C:11] c3dfd732f4548aef283772f03d7d327b6951a780578e49f6006059bc28c1a020 O=S(=O)(O[C@@H:7]([c:8]1[cH:9][cH:10][c:11]([Cl:12])[n:13][cH:14]1)[C:15]([F:16])([F:17])[F:18])C(F)(F)F.[O:1]=[C:2]([NH:3][C@@H:4]1[CH2:5][NH:6][CH2:19][C@@H:20]1[OH:21])[O:22][CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[O:1]=[C:2]([NH:3][C@@H:4]1[CH2:5][N:6]([C@H:7]([c:8]2[cH:9][cH:10][c:11]([Cl:12])[n:13][cH:14]2)[C:15]([F:16])([F:17])[F:18])[CH2:19][C@@H:20]1[OH:21])[O:22][CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1 NQHBUZRTLSGSPG-LURJTMIESA-N.XFRZHUKQUUVRFG-MNOVXSKESA-N>>ZKTSGMWVZMIBNK-HLLBOEOZSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:3]:[c:2]-[C@@H;D3;+0:1](-[N;H0;D3;+0:10](-[C:9])-[C:11])-[C:5](-[F;D1;H0:6])(-[F;D1;H0:7])-[F;D1;H0:8]>>F-C(-F)(-F)-S(=O)(=O)-O-[C@@H;D3;+0:1](-[c:2]:[c:3]:[#7;a:4])-[C:5](-[F;D1;H0:6])(-[F;D1;H0:7])-[F;D1;H0:8].[C:9]-[NH;D2;+0:10]-[C:11] c3dfd732f4548aef283772f03d7d327b6951a780578e49f6006059bc28c1a020 O=S(=O)(O[C@@H:7]([c:8]1[cH:9][cH:10][c:11]([Cl:12])[n:13][cH:14]1)[C:15]([F:16])([F:17])[F:18])C(F)(F)F.[O:1]=[C:2]([NH:3][C@@H:4]1[CH2:5][NH:6][CH2:19][C@H:20]1[OH:21])[O:22][CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>C1CCOC1.CCOC(C)=O.O.O=C(O)O.[K+].[K+]>[O:1]=[C:2]([NH:3][C@@H:4]1[CH2:5][N:6]([C@H:7]([c:8]2[cH:9][cH:10][c:11]([Cl:12])[n:13][cH:14]2)[C:15]([F:16])([F:17])[F:18])[CH2:19][C@H:20]1[OH:21])[O:22][CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1 NQHBUZRTLSGSPG-LURJTMIESA-N.XFRZHUKQUUVRFG-GHMZBOCLSA-N>>ZKTSGMWVZMIBNK-BFYDXBDKSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:3]:[c:2]-[C@@H;D3;+0:1](-[N;H0;D3;+0:10](-[C:9])-[C:11])-[C:5](-[F;D1;H0:6])(-[F;D1;H0:7])-[F;D1;H0:8]>>F-C(-F)(-F)-S(=O)(=O)-O-[C@@H;D3;+0:1](-[c:2]:[c:3]:[#7;a:4])-[C:5](-[F;D1;H0:6])(-[F;D1;H0:7])-[F;D1;H0:8].[C:9]-[NH;D2;+0:10]-[C:11] c3dfd732f4548aef283772f03d7d327b6951a780578e49f6006059bc28c1a020 O=S(=O)(O[C@@H:15]([c:16]1[cH:17][cH:18][c:19]([Cl:20])[n:21][cH:22]1)[C:23]([F:24])([F:25])[F:26])C(F)(F)F.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]1([CH2:10][F:11])[CH2:12][CH2:13][NH:14][CH2:27]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]1([CH2:10][F:11])[CH2:12][CH2:13][N:14]([C@H:15]([c:16]2[cH:17][cH:18][c:19]([Cl:20])[n:21][cH:22]2)[C:23]([F:24])([F:25])[F:26])[CH2:27]1 NQHBUZRTLSGSPG-LURJTMIESA-N.OFIDGFKUTVYMAH-UHFFFAOYSA-N>>NEJZUPRHSZOMAN-JBZHPUCOSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:3]:[c:2]-[C@@H;D3;+0:1](-[N;H0;D3;+0:10](-[C:9])-[C:11])-[C:5](-[F;D1;H0:6])(-[F;D1;H0:7])-[F;D1;H0:8]>>F-C(-F)(-F)-S(=O)(=O)-O-[C@@H;D3;+0:1](-[c:2]:[c:3]:[#7;a:4])-[C:5](-[F;D1;H0:6])(-[F;D1;H0:7])-[F;D1;H0:8].[C:9]-[NH;D2;+0:10]-[C:11] c3dfd732f4548aef283772f03d7d327b6951a780578e49f6006059bc28c1a020 O=S(=O)(O[C@@H:7]([c:8]1[cH:9][cH:10][c:11]([Cl:12])[n:13][cH:14]1)[C:15]([F:16])([F:17])[F:18])C(F)(F)F.[N-:1]=[N+:2]=[N:3][C@@H:4]1[CH2:5][NH:6][CH2:19][C@H:20]1[OH:21]>>[N-:1]=[N+:2]=[N:3][C@@H:4]1[CH2:5][N:6]([C@H:7]([c:8]2[cH:9][cH:10][c:11]([Cl:12])[n:13][cH:14]2)[C:15]([F:16])([F:17])[F:18])[CH2:19][C@H:20]1[OH:21] KDQDIBBKDUWFGY-QWWZWVQMSA-N.NQHBUZRTLSGSPG-LURJTMIESA-N>>RBJBUODCEAPHEK-NQMVMOMDSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:3]:[c:2]-[C@@H;D3;+0:1](-[N;H0;D3;+0:10](-[C:9])-[C:11])-[C:5](-[F;D1;H0:6])(-[F;D1;H0:7])-[F;D1;H0:8]>>F-C(-F)(-F)-S(=O)(=O)-O-[C@@H;D3;+0:1](-[c:2]:[c:3]:[#7;a:4])-[C:5](-[F;D1;H0:6])(-[F;D1;H0:7])-[F;D1;H0:8].[C:9]-[NH;D2;+0:10]-[C:11] c3dfd732f4548aef283772f03d7d327b6951a780578e49f6006059bc28c1a020 [CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][C@@H:9]2[C@@H:10]([C:11]([CH3:12])=[O:13])[O:14][C@@H:15]3[S:16][C:17]([N:18]([CH3:19])[CH3:20])=[N:21][C@@H:22]3[C@H:23]2[O:24][CH2:25][c:26]2[cH:27][cH:28][c:29]([O:30][CH3:31])[cH:32][cH:33]2)[cH:34][cH:35]1>CCN(CC)S(F)(F)F.CCO.ClCCl>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][O:8][C@@H:9]2[C@@H:10]([C@H:11]([CH3:12])[OH:13])[O:14][C@@H:15]3[S:16][C:17]([N:18]([CH3:19])[CH3:20])=[N:21][C@@H:22]3[C@H:23]2[O:24][CH2:25][c:26]2[cH:27][cH:28][c:29]([O:30][CH3:31])[cH:32][cH:33]2)[cH:34][cH:35]1 GZTFCPBBMMQFRW-FXEFVXDJSA-N>>ZODOSDIIHVNSIC-JDOPJYRVSA-N 0.0 Unrecognized False substrate controlled False [#8:1]-[C:2]-[C@H;D3;+0:3](-[C;D1;H3:4])-[OH;D1;+0:5]>>[#8:1]-[C:2]-[C;H0;D3;+0:3](-[C;D1;H3:4])=[O;H0;D1;+0:5] acd65360c41d94aad84f54104b4be3e8d3b157bdb1eb571ebb7df7c4147c5c5e C[Si](C)(C)[C:12]([F:13])([F:14])[F:15].[CH3:1][N:2]([CH3:3])[C:4]1=[N:5][C@H:6]2[C@H:7]([O:8][C@H:9]([CH:10]=[O:11])[C@@H:16]([O:17][CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[C@@H:25]2[O:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[S:34]1>C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.F>[CH3:1][N:2]([CH3:3])[C:4]1=[N:5][C@H:6]2[C@H:7]([O:8][C@H:9]([C@@H:10]([OH:11])[C:12]([F:13])([F:14])[F:15])[C@@H:16]([O:17][CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[C@@H:25]2[O:26][CH2:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[S:34]1 MWKJTNBSKNUMFN-UHFFFAOYSA-N.QUARCSRYLWXQAG-ZGJYDULXSA-N>>OXNPMJRKSSHOKV-KQFPAPQFSA-N 0.0 Unrecognized False substrate controlled False [#8:5]-[C:6]-[C@@H;D3;+0:7](-[OH;D1;+0:8])-[C;H0;D4;+0:1](-[F;D1;H0:2])(-[F;D1;H0:3])-[F;D1;H0:4]>>C-[Si](-C)(-C)-[C;H0;D4;+0:1](-[F;D1;H0:2])(-[F;D1;H0:3])-[F;D1;H0:4].[#8:5]-[C:6]-[CH;D2;+0:7]=[O;H0;D1;+0:8] efb1c7be197c01e66263ef0e70a57dea53fa68d2de416ccc2c72f5fc3548f55a Br[Mg][c:11]1[cH:12][cH:13][c:14]([F:15])[cH:16][cH:17]1.[CH3:1][C@@H:2]1[NH:3][C:4]([CH3:5])([CH3:6])[CH2:7][O:8][C:9]1=[O:10]>C1CCOC1.CCOC(C)=O.Cl.N>[CH3:1][C@@H:2]1[NH:3][C:4]([CH3:5])([CH3:6])[CH2:7][O:8][C@@:9]1([OH:10])[c:11]1[cH:12][cH:13][c:14]([F:15])[cH:16][cH:17]1 QYBFFRXNNFXREA-UHFFFAOYSA-M.ZBBCNJMMSOJLTH-YFKPBYRVSA-N>>SXEGCINDYXTNFI-TVQRCGJNSA-N 0.0 Unrecognized False substrate controlled False [OH;D1;+0:4]-[C@@;H0;D4;+0:5]1(-[c;H0;D3;+0:1](:[c:2]):[c:3])-[#8:6]-[C:7]-[C:8]-[#7:9]-[C:10]-1>>Br-[Mg]-[c;H0;D3;+0:1](:[c:2]):[c:3].[O;H0;D1;+0:4]=[C;H0;D3;+0:5]1-[#8:6]-[C:7]-[C:8]-[#7:9]-[C:10]-1 a87025bd860738e10401000b8bb453a74046c008446d078159a3a9a90fb87d99 Br[Mg][c:11]1[cH:12][cH:13][c:14]([Cl:15])[cH:16][cH:17]1.[CH3:1][C@@H:2]1[NH:3][C:4]([CH3:5])([CH3:6])[CH2:7][O:8][C:9]1=[O:10]>C1CCOC1.CCOC(C)=O.Cl.N>[CH3:1][C@@H:2]1[NH:3][C:4]([CH3:5])([CH3:6])[CH2:7][O:8][C@@:9]1([OH:10])[c:11]1[cH:12][cH:13][c:14]([Cl:15])[cH:16][cH:17]1 CDEMHJCJMMOFMB-UHFFFAOYSA-M.ZBBCNJMMSOJLTH-YFKPBYRVSA-N>>MFHSHFDIBPWOJA-TVQRCGJNSA-N 0.0 Unrecognized False substrate controlled False [OH;D1;+0:4]-[C@@;H0;D4;+0:5]1(-[c;H0;D3;+0:1](:[c:2]):[c:3])-[#8:6]-[C:7]-[C:8]-[#7:9]-[C:10]-1>>Br-[Mg]-[c;H0;D3;+0:1](:[c:2]):[c:3].[O;H0;D1;+0:4]=[C;H0;D3;+0:5]1-[#8:6]-[C:7]-[C:8]-[#7:9]-[C:10]-1 a87025bd860738e10401000b8bb453a74046c008446d078159a3a9a90fb87d99 Br[Mg][c:5]1[cH:4][cH:3][c:2]([CH3:1])[cH:17][cH:16]1.[C:6]1(=[O:7])[O:8][CH2:9][C:10]([CH3:11])([CH3:12])[NH:13][C@H:14]1[CH3:15]>C1CCOC1.CCOCC.Cl.N>[CH3:1][c:2]1[cH:3][cH:4][c:5]([C@:6]2([OH:7])[O:8][CH2:9][C:10]([CH3:11])([CH3:12])[NH:13][C@H:14]2[CH3:15])[cH:16][cH:17]1 ZBBCNJMMSOJLTH-YFKPBYRVSA-N.ZRJNGFJIBZKXTP-UHFFFAOYSA-M>>PLVMDZQEFNUCOF-SMDDNHRTSA-N 0.0 Unrecognized False substrate controlled False [OH;D1;+0:4]-[C@@;H0;D4;+0:5]1(-[c;H0;D3;+0:1](:[c:2]):[c:3])-[#8:6]-[C:7]-[C:8]-[#7:9]-[C:10]-1>>Br-[Mg]-[c;H0;D3;+0:1](:[c:2]):[c:3].[O;H0;D1;+0:4]=[C;H0;D3;+0:5]1-[#8:6]-[C:7]-[C:8]-[#7:9]-[C:10]-1 a87025bd860738e10401000b8bb453a74046c008446d078159a3a9a90fb87d99 Br[Mg][c:11]1[cH:12][c:13]([F:14])[c:15]([F:16])[cH:17][cH:18]1.[CH3:1][C@@H:2]1[NH:3][C:4]([CH3:5])([CH3:6])[CH2:7][O:8][C:9]1=[O:10]>C1CCOC1.Cl.N>[CH3:1][C@@H:2]1[NH:3][C:4]([CH3:5])([CH3:6])[CH2:7][O:8][C@@:9]1([OH:10])[c:11]1[cH:12][c:13]([F:14])[c:15]([F:16])[cH:17][cH:18]1 WZHAVYGMKGPNFN-UHFFFAOYSA-M.ZBBCNJMMSOJLTH-YFKPBYRVSA-N>>LHPUYZQFWLLHPT-ISVAXAHUSA-N 0.0 Unrecognized False substrate controlled False [OH;D1;+0:4]-[C@@;H0;D4;+0:5]1(-[c;H0;D3;+0:1](:[c:2]):[c:3])-[#8:6]-[C:7]-[C:8]-[#7:9]-[C:10]-1>>Br-[Mg]-[c;H0;D3;+0:1](:[c:2]):[c:3].[O;H0;D1;+0:4]=[C;H0;D3;+0:5]1-[#8:6]-[C:7]-[C:8]-[#7:9]-[C:10]-1 a87025bd860738e10401000b8bb453a74046c008446d078159a3a9a90fb87d99 CC(C)(C)[OH:3].CC(C)(C)[Si](C)(C)[O:5]/[C:4](=[CH:2]\[CH3:1])[c:6]1[cH:7][c:8]([Cl:9])[cH:10][cH:11][cH:12]1>CC[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@H](Oc1nnc(O[C@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@@H]3CCN2C[C@@H]3CC)c2ccccc12)c1ccnc2ccc(OC)cc12.CS(N)(=O)=O.O>[CH3:1][C@H:2]([OH:3])[C:4](=[O:5])[c:6]1[cH:7][c:8]([Cl:9])[cH:10][cH:11][cH:12]1 DKGAVHZHDRPRBM-UHFFFAOYSA-N.FUWJCOIFTHDHNC-AUWJEWJLSA-N>>PRVHLTNNKRCHGO-LURJTMIESA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:6]-[C@H;D3;+0:5](-[OH;D1;+0:1])-[C;H0;D3;+0:3](=[O;H0;D1;+0:2])-[c:4]>>C-C(-C)(-C)-[OH;D1;+0:1].C-C(-C)(-C)-[Si](-C)(-C)-[O;H0;D2;+0:2]/[C;H0;D3;+0:3](-[c:4])=[CH;D2;+0:5]\[C;D1;H3:6] af660797a1ca2bd25d6019d048a8830575273384b93e9d126b30cee044064240 CC(C)(C)[OH:3].CC(C)(C)[Si](C)(C)[O:5]/[C:4](=[CH:2]\[CH3:1])[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1>CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1nnc(O[C@@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@@H]3CCN2C[C@@H]3CC)c2ccccc12)c1ccnc2ccc(OC)cc12.CS(N)(=O)=O.O>[CH3:1][C@@H:2]([OH:3])[C:4](=[O:5])[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1 DKGAVHZHDRPRBM-UHFFFAOYSA-N.FKBCACDUMTUMCX-AUWJEWJLSA-N>>WLVPRARCUSRDNI-SSDOTTSWSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:6]-[C@@H;D3;+0:5](-[OH;D1;+0:1])-[C;H0;D3;+0:3](=[O;H0;D1;+0:2])-[c:4]>>C-C(-C)(-C)-[OH;D1;+0:1].C-C(-C)(-C)-[Si](-C)(-C)-[O;H0;D2;+0:2]/[C;H0;D3;+0:3](-[c:4])=[CH;D2;+0:5]\[C;D1;H3:6] 639909e83cb4bc481326b65a2a117a82e01722e0f9d21e7b9dd142eb141c2140 CC(C)(C)[OH:3].CC(C)(C)[Si](C)(C)[O:5]/[C:4](=[CH:2]\[CH3:1])[c:6]1[cH:7][c:8]([F:9])[cH:10][cH:11][cH:12]1>CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1nnc(O[C@@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@@H]3CCN2C[C@@H]3CC)c2ccccc12)c1ccnc2ccc(OC)cc12.CS(N)(=O)=O.O>[CH3:1][C@@H:2]([OH:3])[C:4](=[O:5])[c:6]1[cH:7][c:8]([F:9])[cH:10][cH:11][cH:12]1 DKGAVHZHDRPRBM-UHFFFAOYSA-N.XXMANCOMNKDFGG-AUWJEWJLSA-N>>IWFXDIHTNIZAKH-ZCFIWIBFSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:6]-[C@@H;D3;+0:5](-[OH;D1;+0:1])-[C;H0;D3;+0:3](=[O;H0;D1;+0:2])-[c:4]>>C-C(-C)(-C)-[OH;D1;+0:1].C-C(-C)(-C)-[Si](-C)(-C)-[O;H0;D2;+0:2]/[C;H0;D3;+0:3](-[c:4])=[CH;D2;+0:5]\[C;D1;H3:6] 639909e83cb4bc481326b65a2a117a82e01722e0f9d21e7b9dd142eb141c2140 CC(C)(C)[OH:3].CC(C)(C)[Si](C)(C)[O:5]/[C:4](=[CH:2]\[CH3:1])[c:6]1[cH:7][c:8]([Br:9])[cH:10][cH:11][cH:12]1>CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1nnc(O[C@@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@@H]3CCN2C[C@@H]3CC)c2ccccc12)c1ccnc2ccc(OC)cc12.CS(N)(=O)=O.O>[CH3:1][C@@H:2]([OH:3])[C:4](=[O:5])[c:6]1[cH:7][c:8]([Br:9])[cH:10][cH:11][cH:12]1 DKGAVHZHDRPRBM-UHFFFAOYSA-N.KLQNDQCDWLVJNG-AUWJEWJLSA-N>>ZDKJWZVXIFZSAL-ZCFIWIBFSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:6]-[C@@H;D3;+0:5](-[OH;D1;+0:1])-[C;H0;D3;+0:3](=[O;H0;D1;+0:2])-[c:4]>>C-C(-C)(-C)-[OH;D1;+0:1].C-C(-C)(-C)-[Si](-C)(-C)-[O;H0;D2;+0:2]/[C;H0;D3;+0:3](-[c:4])=[CH;D2;+0:5]\[C;D1;H3:6] 639909e83cb4bc481326b65a2a117a82e01722e0f9d21e7b9dd142eb141c2140 CC(C)(C)[OH:12].CC(C)(C)[Si](C)(C)[O:9]/[C:8]([c:7]1[cH:6][cH:5][cH:4][c:3]([O:2][CH3:1])[cH:13]1)=[CH:10]\[CH3:11]>CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1nnc(O[C@@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@@H]3CCN2C[C@@H]3CC)c2ccccc12)c1ccnc2ccc(OC)cc12.CS(N)(=O)=O.ClC(Cl)Cl.O>[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([C:8](=[O:9])[C@@H:10]([CH3:11])[OH:12])[cH:13]1 DKGAVHZHDRPRBM-UHFFFAOYSA-N.YOGDTKMELNYTQM-NVNXTCNLSA-N>>TXLJIXIIIWNBOJ-SSDOTTSWSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:6]-[C@@H;D3;+0:5](-[OH;D1;+0:1])-[C;H0;D3;+0:3](=[O;H0;D1;+0:2])-[c:4]>>C-C(-C)(-C)-[OH;D1;+0:1].C-C(-C)(-C)-[Si](-C)(-C)-[O;H0;D2;+0:2]/[C;H0;D3;+0:3](-[c:4])=[CH;D2;+0:5]\[C;D1;H3:6] 639909e83cb4bc481326b65a2a117a82e01722e0f9d21e7b9dd142eb141c2140 CC(C)(C)[OH:3].CC(C)(C)[Si](C)(C)[O:5]/[C:4](=[CH:2]\[CH3:1])[c:6]1[cH:7][c:8]([N+:9](=[O:10])[O-:11])[cH:12][cH:13][cH:14]1>CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1nnc(O[C@@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@@H]3CCN2C[C@@H]3CC)c2ccccc12)c1ccnc2ccc(OC)cc12.CS(N)(=O)=O.O>[CH3:1][C@@H:2]([OH:3])[C:4](=[O:5])[c:6]1[cH:7][c:8]([N+:9](=[O:10])[O-:11])[cH:12][cH:13][cH:14]1 DKGAVHZHDRPRBM-UHFFFAOYSA-N.JWJMDENELJPMSC-AUWJEWJLSA-N>>VPHYFZXHWRRALB-ZCFIWIBFSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:6]-[C@@H;D3;+0:5](-[OH;D1;+0:1])-[C;H0;D3;+0:3](=[O;H0;D1;+0:2])-[c:4]>>C-C(-C)(-C)-[OH;D1;+0:1].C-C(-C)(-C)-[Si](-C)(-C)-[O;H0;D2;+0:2]/[C;H0;D3;+0:3](-[c:4])=[CH;D2;+0:5]\[C;D1;H3:6] 639909e83cb4bc481326b65a2a117a82e01722e0f9d21e7b9dd142eb141c2140 CC(C)(C)[OH:3].CC(C)(C)[Si](C)(C)[O:5]/[C:4](=[CH:2]\[CH3:1])[c:6]1[cH:7][cH:8][cH:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]12>CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1nnc(O[C@@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@@H]3CCN2C[C@@H]3CC)c2ccccc12)c1ccnc2ccc(OC)cc12.CS(N)(=O)=O.O>[CH3:1][C@@H:2]([OH:3])[C:4](=[O:5])[c:6]1[cH:7][cH:8][cH:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]12 DKGAVHZHDRPRBM-UHFFFAOYSA-N.PVROONSECAXPCT-WSVATBPTSA-N>>FWYAWAVMEZKFQD-SECBINFHSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:6]-[C@@H;D3;+0:5](-[OH;D1;+0:1])-[C;H0;D3;+0:3](=[O;H0;D1;+0:2])-[c:4]>>C-C(-C)(-C)-[OH;D1;+0:1].C-C(-C)(-C)-[Si](-C)(-C)-[O;H0;D2;+0:2]/[C;H0;D3;+0:3](-[c:4])=[CH;D2;+0:5]\[C;D1;H3:6] 639909e83cb4bc481326b65a2a117a82e01722e0f9d21e7b9dd142eb141c2140 CC(C)(C)[OH:3].CC(C)(C)[Si](C)(C)[O:5]/[C:4](=[CH:2]\[CH3:1])[c:6]1[cH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[cH:14][cH:15]1>CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1nnc(O[C@@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@@H]3CCN2C[C@@H]3CC)c2ccccc12)c1ccnc2ccc(OC)cc12.CS(N)(=O)=O.O>[CH3:1][C@@H:2]([OH:3])[C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[cH:14][cH:15]1 DKGAVHZHDRPRBM-UHFFFAOYSA-N.WSTMLUYLGNNVPM-WSVATBPTSA-N>>OPVRNGIJEHRBQQ-SECBINFHSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:6]-[C@@H;D3;+0:5](-[OH;D1;+0:1])-[C;H0;D3;+0:3](=[O;H0;D1;+0:2])-[c:4]>>C-C(-C)(-C)-[OH;D1;+0:1].C-C(-C)(-C)-[Si](-C)(-C)-[O;H0;D2;+0:2]/[C;H0;D3;+0:3](-[c:4])=[CH;D2;+0:5]\[C;D1;H3:6] 639909e83cb4bc481326b65a2a117a82e01722e0f9d21e7b9dd142eb141c2140 CC(C)(C)[OH:4].CC(C)(C)[Si](C)(C)[O:6]/[C:5](=[CH:3]\[CH2:2][CH3:1])[c:7]1[cH:8][c:9]([Cl:10])[cH:11][cH:12][cH:13]1>CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1nnc(O[C@@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@@H]3CCN2C[C@@H]3CC)c2ccccc12)c1ccnc2ccc(OC)cc12.CS(N)(=O)=O.O>[CH3:1][CH2:2][C@@H:3]([OH:4])[C:5](=[O:6])[c:7]1[cH:8][c:9]([Cl:10])[cH:11][cH:12][cH:13]1 DKGAVHZHDRPRBM-UHFFFAOYSA-N.LLLDSXFCQBFYGD-DHDCSXOGSA-N>>GNOQEGPKTUFGRR-SECBINFHSA-N 0.0 Unrecognized False reagent controlled False [C:6]-[C@@H;D3;+0:5](-[OH;D1;+0:1])-[C;H0;D3;+0:3](=[O;H0;D1;+0:2])-[c:4]>>C-C(-C)(-C)-[OH;D1;+0:1].C-C(-C)(-C)-[Si](-C)(-C)-[O;H0;D2;+0:2]/[C;H0;D3;+0:3](-[c:4])=[CH;D2;+0:5]\[C:6] 639909e83cb4bc481326b65a2a117a82e01722e0f9d21e7b9dd142eb141c2140 [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[c:8]([I:9])[n:10]2[n:11][c:12](-[c:13]3[cH:14][c:15]([Br:16])[cH:17][cH:18][cH:19]3)[cH:20][c:21]2[n:22][c:23]1[CH3:24]>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([OH:6])[c:7]1[c:8]([I:9])[n:10]2[n:11][c:12](-[c:13]3[cH:14][c:15]([Br:16])[cH:17][cH:18][cH:19]3)[cH:20][c:21]2[n:22][c:23]1[CH3:24] ZGDIKFJUIUQECX-UHFFFAOYSA-N>>LXLAYZCOPUSIAB-AWEZNQCLSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11] 7b5a89e5196706e8b7669458c5c57ac70c4458d0ba4074de954289e1a1ec33e0 [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[c:8]([Cl:9])[n:10]2[n:11][c:12](-[c:13]3[cH:14][c:15]([Br:16])[cH:17][cH:18][cH:19]3)[cH:20][c:21]2[n:22][c:23]1[CH3:24]>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([OH:6])[c:7]1[c:8]([Cl:9])[n:10]2[n:11][c:12](-[c:13]3[cH:14][c:15]([Br:16])[cH:17][cH:18][cH:19]3)[cH:20][c:21]2[n:22][c:23]1[CH3:24] WDDWDTRQOZNVNG-UHFFFAOYSA-N>>HDXFCMFLXFGXEI-AWEZNQCLSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11] 7b5a89e5196706e8b7669458c5c57ac70c4458d0ba4074de954289e1a1ec33e0 [CH2:1]=[CH:2][CH2:3][O:4][C:5]1([CH3:6])[CH2:7][CH2:8][N:9]([c:10]2[c:11]([C:12](=[O:13])[C:14](=[O:15])[O:16][CH2:17][CH3:18])[c:19]([CH3:20])[n:21][c:22]3[cH:23][c:24](-[c:25]4[cH:26][c:27]([Br:28])[cH:29][cH:30][cH:31]4)[n:32][n:33]23)[CH2:34][CH2:35]1>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH2:1]=[CH:2][CH2:3][O:4][C:5]1([CH3:6])[CH2:7][CH2:8][N:9]([c:10]2[c:11]([C@H:12]([OH:13])[C:14](=[O:15])[O:16][CH2:17][CH3:18])[c:19]([CH3:20])[n:21][c:22]3[cH:23][c:24](-[c:25]4[cH:26][c:27]([Br:28])[cH:29][cH:30][cH:31]4)[n:32][n:33]23)[CH2:34][CH2:35]1 QEJPDPDQJGNSHL-UHFFFAOYSA-N>>STBTUEIIDCMUPM-QHCPKHFHSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C:11]-[C;D1;H3:12]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C:11]-[C;D1;H3:12] 5276d962db1f404e9b6cf2e27c0a83f30b8e4593b0e9bbfb2995d4c68307c42c [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][c:11]([CH2:12][C@@H:13]([C:14](=[O:15])[OH:16])[c:17]2[cH:18][cH:19][c:20]([C:21]3=[CH:22][CH2:23][CH:24]([C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:29][CH2:30]3)[cH:31][cH:32]2)[cH:33][cH:34]1>CCOC(C)=O.[H][H].[Pd]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][c:11]([CH2:12][C@@H:13]([C:14](=[O:15])[OH:16])[c:17]2[cH:18][cH:19][c:20]([C@H:21]3[CH2:22][CH2:23][C@@H:24]([C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:29][CH2:30]3)[cH:31][cH:32]2)[cH:33][cH:34]1 KQHCSGYMGYXJRW-FXDYGKIASA-N>>SYYCGXDFTNDMAQ-ZSQFBXSQSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[CH2;D2;+0:2]-[C@@H;D3;+0:3](-[C:4])-[c:5]>>[C:1]-[CH;D2;+0:2]=[C;H0;D3;+0:3](-[C:4])-[c:5] 2db666334a8ad7e273f0d120c9bd029d99d5e603236cdbe1286481909795cff7 [CH3:1][C@H:2]([NH:3][C:4](=[O:5])[O:6][C:7]([CH3:8])([CH3:9])[CH3:10])[C:11](=[O:12])[c:13]1[cH:14][c:15]2[c:16]([cH:17][cH:18]1)[O:19][CH2:20][CH2:21][O:22]2>CC(C)O.CC(C)O.CC(C)O.CC(C)O.Cc1ccccc1.Cl.[Al+3]>[CH3:1][C@H:2]([NH:3][C:4](=[O:5])[O:6][C:7]([CH3:8])([CH3:9])[CH3:10])[C@H:11]([OH:12])[c:13]1[cH:14][c:15]2[c:16]([cH:17][cH:18]1)[O:19][CH2:20][CH2:21][O:22]2 YETGKSZJBSBONQ-JTQLQIEISA-N>>LHHOKOZBKGQBOE-HZMBPMFUSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]1[CH2:7][CH2:8][C:9](=[O:10])[CH2:11][N:12]1[C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19]>CCO.B.[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]1[CH2:7][CH2:8][C@H:9]([OH:10])[CH2:11][N:12]1[C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19] RMDHGBVAOBPLIY-JTQLQIEISA-N>>QXPPPWXTNBWACT-UWVGGRQHSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 24a10c55c777a445640c9a082c0e3e06b05e2ae67a251c9c99a2481cce24d018 [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[c:8]([I:9])[n:10]2[n:11][c:12](-[c:13]3[cH:14][c:15]([Br:16])[cH:17][cH:18][cH:19]3)[cH:20][c:21]2[n:22][c:23]1[CH3:24]>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([OH:6])[c:7]1[c:8]([I:9])[n:10]2[n:11][c:12](-[c:13]3[cH:14][c:15]([Br:16])[cH:17][cH:18][cH:19]3)[cH:20][c:21]2[n:22][c:23]1[CH3:24] ZGDIKFJUIUQECX-UHFFFAOYSA-N>>LXLAYZCOPUSIAB-AWEZNQCLSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11] ee8cb2d95bcb5bc67f2fb07ff0646f6d82222a8c819b7386e9cf753e380993ca [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[c:8]([Cl:9])[n:10]2[n:11][c:12](-[c:13]3[cH:14][c:15]([Br:16])[cH:17][cH:18][cH:19]3)[cH:20][c:21]2[n:22][c:23]1[CH3:24]>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([OH:6])[c:7]1[c:8]([Cl:9])[n:10]2[n:11][c:12](-[c:13]3[cH:14][c:15]([Br:16])[cH:17][cH:18][cH:19]3)[cH:20][c:21]2[n:22][c:23]1[CH3:24] WDDWDTRQOZNVNG-UHFFFAOYSA-N>>HDXFCMFLXFGXEI-AWEZNQCLSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11] ee8cb2d95bcb5bc67f2fb07ff0646f6d82222a8c819b7386e9cf753e380993ca [CH2:1]=[CH:2][CH2:3][O:4][C:5]1([CH3:6])[CH2:7][CH2:8][N:9]([c:10]2[c:11]([C:12](=[O:13])[C:14](=[O:15])[O:16][CH2:17][CH3:18])[c:19]([CH3:20])[n:21][c:22]3[cH:23][c:24](-[c:25]4[cH:26][c:27]([Br:28])[cH:29][cH:30][cH:31]4)[n:32][n:33]23)[CH2:34][CH2:35]1>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH2:1]=[CH:2][CH2:3][O:4][C:5]1([CH3:6])[CH2:7][CH2:8][N:9]([c:10]2[c:11]([C@H:12]([OH:13])[C:14](=[O:15])[O:16][CH2:17][CH3:18])[c:19]([CH3:20])[n:21][c:22]3[cH:23][c:24](-[c:25]4[cH:26][c:27]([Br:28])[cH:29][cH:30][cH:31]4)[n:32][n:33]23)[CH2:34][CH2:35]1 QEJPDPDQJGNSHL-UHFFFAOYSA-N>>STBTUEIIDCMUPM-QHCPKHFHSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C:11]-[C;D1;H3:12]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C:11]-[C;D1;H3:12] de0e028e524c2ca0f7aedabf56740fdcf42a4b975c66c747c9b7edb7336ba9d5 [CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([O:6][C@@H:7]1[CH2:8][CH2:9][C:10](=[O:11])[C@@H:12]([F:13])[CH2:14]1)([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.COC(C)(C)C.O=S(O)O.OO.[Li+].[Na+].[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([O:6][C@@H:7]1[CH2:8][CH2:9][C@@H:10]([OH:11])[C@@H:12]([F:13])[CH2:14]1)([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1 QPSJGTYAYBXFGD-XLIONFOSSA-N>>QHEMVGVETSMEDN-JRGCBEDISA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d I[CH2:12]I.[cH:1]1[cH:2][cH:3][c:4]([C@H:5]2[O:6][C:7]3([CH2:8][CH2:9][CH2:10][CH:11]=[CH:13]3)[O:14][C@@H:15]2[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:22][cH:23]1>CCOCC.Cl.II.[Cu].[Zn].[Zn]>[cH:1]1[cH:2][cH:3][c:4]([C@H:5]2[O:6][C:7]3([CH2:8][CH2:9][CH2:10][C@@H:11]4[CH2:12][C@H:13]34)[O:14][C@@H:15]2[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:22][cH:23]1 NZZFYRREKKOMAT-UHFFFAOYSA-N.OYRBDXSPJCOCBO-RTBURBONSA-N>>UHRYNRULIGUQPN-IYWMVGAKSA-N 0.0 Unrecognized True substrate controlled False [C@H;D3;+0:2]1-[C@H;D3;+0:3]-[CH2;D2;+0:1]-1>>I-[CH2;D2;+0:1]-I.[CH;D2;+0:2]=[CH;D2;+0:3] 20497e817010d7eda8f84581192f97917497af5a58f162c260868cd9705967b8 [CH3:1][CH:2]([CH3:3])[O:4][c:5]1[n:6][c:7]2[c:8]([s:9]1)[c:10]([C:11](=[O:12])[CH2:13][Cl:14])[cH:15][c:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[cH:22]2>CN(C)C=O.CO.Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1.Cl[Ru+]>[CH3:1][CH:2]([CH3:3])[O:4][c:5]1[n:6][c:7]2[c:8]([s:9]1)[c:10]([C@@H:11]([OH:12])[CH2:13][Cl:14])[cH:15][c:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[cH:22]2 JSCCVMDRBZVHCE-UHFFFAOYSA-N>>IDPANVXFNRWZBA-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled False [#16;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#16;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 610e51149fb24fc55c3b7d341967cddf460dc8529068ac786a593a0608a512b9 Br[c:6]1[c:4]([F:5])[cH:3][c:2]([F:1])[cH:17][cH:16]1.[C:7]12=[N:15][O:14][CH2:13][C@@H:12]1[CH2:11][CH2:10][O:9][CH2:8]2>C1CCOC1.CCOCC.Cc1ccccc1.FB(F)F.[Li]CCCC>[F:1][c:2]1[cH:3][c:4]([F:5])[c:6]([C@:7]23[CH2:8][O:9][CH2:10][CH2:11][C@H:12]2[CH2:13][O:14][NH:15]3)[cH:16][cH:17]1 MGHBDQZXPCTTIH-UHFFFAOYSA-N.OCRDHHHXRXZFKP-YFKPBYRVSA-N>>SSUZOWIDRYGOFC-UFBFGSQYSA-N 0.0 Unrecognized False substrate controlled False [#8:4]-[NH;D2;+0:5]-[C@;H0;D4;+0:6](-[C:7])(-[C:8]-[#8:9])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].[#8:4]-[N;H0;D2;+0:5]=[C;H0;D3;+0:6](-[C:7])-[C:8]-[#8:9] 94aff8ccc3794f4bf8b9b6a5279f7ae21e910dfc697ba561a1651c976af2e705 I[c:3]1[c:2]([F:1])[cH:25][cH:24][cH:23][cH:22]1.[C:4]12=[N:21][O:20][CH2:19][C@@H:18]1[CH2:17][C@H:7]([CH2:8][O:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[O:6][CH2:5]2>C1CCOC1.CCOCC.Cc1ccccc1.FB(F)F.[Li]CCCC>[F:1][c:2]1[c:3]([C@:4]23[CH2:5][O:6][C@@H:7]([CH2:8][O:9][CH2:10][c:11]4[cH:12][cH:13][cH:14][cH:15][cH:16]4)[CH2:17][C@H:18]2[CH2:19][O:20][NH:21]3)[cH:22][cH:23][cH:24][cH:25]1 LXYBKZVFHKHLSR-QWHCGFSZSA-N.TYHUGKGZNOULKD-UHFFFAOYSA-N>>FHVXNYGVZAHLBG-QKLQHJQFSA-N 0.0 Unrecognized False substrate controlled False [#8:4]-[NH;D2;+0:5]-[C@;H0;D4;+0:6](-[C:7])(-[C:8]-[#8:9])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>I-[c;H0;D3;+0:1](:[c:2]):[c:3].[#8:4]-[N;H0;D2;+0:5]=[C;H0;D3;+0:6](-[C:7])-[C:8]-[#8:9] b5b6e89b79159004b1c7a9a3c723eb46a959bd81f44aa0225fcc3015b8f13513 [CH3:1][CH:2]([CH3:3])[O:4][c:5]1[n:6][c:7]2[c:8]([s:9]1)[c:10]([C:11](=[O:12])[CH2:13][Cl:14])[cH:15][c:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[cH:22]2>CN(C)C=O.CO.Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1.Cl[Ru+]>[CH3:1][CH:2]([CH3:3])[O:4][c:5]1[n:6][c:7]2[c:8]([s:9]1)[c:10]([C@@H:11]([OH:12])[CH2:13][Cl:14])[cH:15][c:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[cH:22]2 JSCCVMDRBZVHCE-UHFFFAOYSA-N>>IDPANVXFNRWZBA-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled True [#16;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#16;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 81140bf5833526736f9b408e7c6e9600135a22457445673ebc0febc54d5161b4 CS(=O)(=O)O[C@H:3]1[CH2:4][CH2:5][CH2:6][CH2:7][C@H:8]1[NH:9][c:10]1[n:11][c:12]2[c:13]([cH:14][c:15]([CH2:16][n:17]3[cH:18][n:19][c:20]4[cH:21][c:22]([F:23])[cH:24][n:25][c:26]34)[cH:27][cH:28]2)[s:29]1.[CH3:1][SH:2]>CN(C)C=O.[Na+]>[CH3:1][S:2][C@@H:3]1[CH2:4][CH2:5][CH2:6][CH2:7][C@H:8]1[NH:9][c:10]1[n:11][c:12]2[c:13]([cH:14][c:15]([CH2:16][n:17]3[cH:18][n:19][c:20]4[cH:21][c:22]([F:23])[cH:24][n:25][c:26]34)[cH:27][cH:28]2)[s:29]1 LSDPWZHWYPCBBB-UHFFFAOYSA-N.WXRXCRWBAAHSBT-QAPCUYQASA-N>>QZZDMOMGJHRYKL-CRAIPNDOSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C:3])-[S;H0;D2;+0:5]-[C;D1;H3:4]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3].[C;D1;H3:4]-[SH;D1;+0:5] bfc630981e2cf52fc744cd95e9bfb5f64893c36f393b013cad8bbc86c27aaef4 Cc1ccc(S(=O)(=O)O[C@H:8]([CH2:7][CH:5]([CH2:4][CH2:3][CH:2]=[CH2:1])[CH3:6])[CH3:9])cc1.[CH2:10]([N:11]=[C:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[C:25](=[O:26])[O:27][CH2:28][CH3:29]>C[Si](C)(C)N[Si](C)(C)C.Cc1ccccc1.[Li+]>[CH2:1]=[CH:2][CH2:3][CH2:4][CH:5]([CH3:6])[CH2:7][C@@H:8]([CH3:9])[CH:10]([N:11]=[C:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[C:25](=[O:26])[O:27][CH2:28][CH3:29] IEFOKWVGPAXUCN-LOACHALJSA-N.QUGJYNGNUBHTNS-UHFFFAOYSA-N>>SQYRTZWERZNZPQ-ZPGVXSSASA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[CH;D3;+0:9](-[#7:10]=[C:11](-[c:12]1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)-[c:18]1:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:1)-[C:7](=[O;D1;H0:8])-[#8:6]-[C:5]-[C;D1;H3:4]>>C-c1:c:c:c(-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3]):c:c:1.[C;D1;H3:4]-[C:5]-[#8:6]-[C:7](=[O;D1;H0:8])-[CH2;D2;+0:9]-[#7:10]=[C:11](-[c:12]1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)-[c:18]1:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:1 8128c007ca7c4794c79055110d01e6a8e82728019aa951d6ab77de639cff93d7 Cc1ccc(S(=O)(=O)O[C@H:8]([CH2:7][CH:5]([CH2:4][CH2:3][CH:2]=[CH2:1])[CH3:6])[CH2:9][CH3:10])cc1.[CH2:11]([N:12]=[C:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[C:26](=[O:27])[O:28][CH2:29][CH3:30]>C[Si](C)(C)N[Si](C)(C)C.Cc1ccccc1.[Li+]>[CH2:1]=[CH:2][CH2:3][CH2:4][CH:5]([CH3:6])[CH2:7][C@@H:8]([CH2:9][CH3:10])[CH:11]([N:12]=[C:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[C:26](=[O:27])[O:28][CH2:29][CH3:30] QUGJYNGNUBHTNS-UHFFFAOYSA-N.SGMUVALESKAJPB-LYKKTTPLSA-N>>BUUTZEDUBYVDBT-GUXMJAIHSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3])-[CH;D3;+0:9](-[#7:10]=[C:11](-[c:12]1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)-[c:18]1:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:1)-[C:7](=[O;D1;H0:8])-[#8:6]-[C:5]-[C;D1;H3:4]>>C-c1:c:c:c(-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]):c:c:1.[C;D1;H3:4]-[C:5]-[#8:6]-[C:7](=[O;D1;H0:8])-[CH2;D2;+0:9]-[#7:10]=[C:11](-[c:12]1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)-[c:18]1:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:1 8128c007ca7c4794c79055110d01e6a8e82728019aa951d6ab77de639cff93d7 I[CH3:1].[CH2:2]([C:3](=[O:4])[N:5]1[C:6](=[O:7])[O:8][CH2:9][C@@H:10]1[CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[c:18]1[c:19]([F:20])[cH:21][c:22]([Br:23])[cH:24][cH:25]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.O=S(=O)(O)O.[Na+].[Na+]>[CH3:1][C@H:2]([C:3](=[O:4])[N:5]1[C:6](=[O:7])[O:8][CH2:9][C@@H:10]1[CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[c:18]1[c:19]([F:20])[cH:21][c:22]([Br:23])[cH:24][cH:25]1 INQOMBQAUSQDDS-UHFFFAOYSA-N.WNVOMXFSJRYCQR-HNNXBMFYSA-N>>CWDJNROMYDRRCY-WFASDCNBSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[CH3;D1;+0:1])-[c:6]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[c:6] 392eb33aa7db2786e7965885f1d27e0768cd68e2a2f31bb6600bca5f4293b06f I[CH3:1].[CH2:2]([C:3](=[O:4])[N:5]1[C:6](=[O:7])[O:8][CH2:9][C@H:10]1[CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[c:18]1[c:19]([F:20])[cH:21][c:22]([Br:23])[cH:24][cH:25]1>>[CH3:1][C@@H:2]([C:3](=[O:4])[N:5]1[C:6](=[O:7])[O:8][CH2:9][C@H:10]1[CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[c:18]1[c:19]([F:20])[cH:21][c:22]([Br:23])[cH:24][cH:25]1 INQOMBQAUSQDDS-UHFFFAOYSA-N.WNVOMXFSJRYCQR-OAHLLOKOSA-N>>CWDJNROMYDRRCY-IUODEOHRSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[CH3;D1;+0:1])-[c:6]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[c:6] 4408f97d137a726e1ab3843c13949afd149d8ae22ca196aabdfd63f64c9b350a [CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C:7](=[O:8])[CH2:9][C@H:10]([OH:11])[CH2:12][Cl:13]>C1CCOC1.CCB(CC)OC.CO.B.[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C@H:7]([OH:8])[CH2:9][C@H:10]([OH:11])[CH2:12][Cl:13] XGMYVMDSICLIPE-ZETCQYMHSA-N>>AHOKKFGSVUSHMZ-RQJHMYQMSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9] 811c4d40f644988e478ae44f96428cdb9344f188862e684f75c42e22295e3173 O=C(O[OH:8])c1cccc(Cl)c1.[O:1]=[C:2]([NH:3][C@@H:4]1[CH2:5][CH2:6][CH:7]=[CH:9][CH2:10]1)[C:11]([F:12])([F:13])[F:14]>Clc1ccccc1>[O:1]=[C:2]([NH:3][C@@H:4]1[CH2:5][CH2:6][C@@H:7]2[O:8][C@@H:9]2[CH2:10]1)[C:11]([F:12])([F:13])[F:14] BRUZPHLIKWLQMW-LURJTMIESA-N.NHQDETIJWKXCTC-UHFFFAOYSA-N>>XPCYCHZBRGPEBW-NGJCXOISSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3]1-[O;H0;D2;+0:1]-[C@H;D3;+0:4]-1-[C:5]>>Cl-c1:c:c:c:c(-C(=O)-O-[OH;D1;+0:1]):c:1.[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5] c347e171e5b6b45a33e6b67f722aa99cc6e0f8560df6c504bf73b47d0d8c6558 O=[N+:7]([O-])[c:6]1[c:5]([C:4]2=[CH:12][C@@H:13]([NH:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[C@@H:22]([O:23][S:24]([CH3:25])(=[O:26])=[O:27])[C@@H:2]([CH3:1])[CH2:3]2)[cH:11][cH:10][n:9][cH:8]1>CCO.[Pd]>[CH3:1][C@H:2]1[CH2:3][C@@H:4]([c:5]2[c:6]([NH2:7])[cH:8][n:9][cH:10][cH:11]2)[CH2:12][C@@H:13]([NH:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[C@H:22]1[O:23][S:24]([CH3:25])(=[O:26])=[O:27] DOAYLAMENQSTRT-PEYYIBSZSA-N>>WALQIAIOYUCBPF-OJDYBEQGSA-N 0.0 Unrecognized False substrate controlled False [#7;a:9]:[c:8]:[c:2](-[NH2;D1;+0:1]):[c:3]-[C@@H;D3;+0:4](-[C:5])-[CH2;D2;+0:6]-[C:7]>>O=[N+;H0;D3:1](-[O-])-[c:2](:[c:3]-[C;H0;D3;+0:4](-[C:5])=[CH;D2;+0:6]-[C:7]):[c:8]:[#7;a:9] 94b83ae74dcd5f98e39d0ca71a8089308ccfeeb1e893493393e6ba675c234765 CS(=O)(=O)O[C@H:22]1[C@@H:2]([CH3:1])[CH2:3][C@@H:4]([c:5]2[c:6]([NH2:7])[cH:8][n:9][cH:10][cH:11]2)[CH2:12][C@H:13]1[NH:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21].[N-:23]=[N+:24]=[N-:25]>CN(C)C=O.[Na+]>[CH3:1][C@H:2]1[CH2:3][C@@H:4]([c:5]2[c:6]([NH2:7])[cH:8][n:9][cH:10][cH:11]2)[CH2:12][C@@H:13]([NH:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[C@@H:22]1[N:23]=[N+:24]=[N-:25] IVRMZWNICZWHMI-UHFFFAOYSA-N.WALQIAIOYUCBPF-OJDYBEQGSA-N>>HOXIYEPCEGLBMQ-RBDSIQFVSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] e79cd9ff929b7823a9a1d3ebd47f2eb0444b747171361724dee4b1aadfcac2ef O=[N+:15]([O-])[c:14]1[c:13]([C:12]2=[CH:20][C@@H:21]([NH:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[C@H:8]([O:7][CH2:6][CH2:5][C:3]([O:2][CH3:1])=[O:4])[C@@H:9]([CH3:10])[CH2:11]2)[cH:19][cH:18][n:17][cH:16]1>CCO.[Pd]>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][O:7][C@@H:8]1[C@@H:9]([CH3:10])[CH2:11][C@@H:12]([c:13]2[c:14]([NH2:15])[cH:16][n:17][cH:18][cH:19]2)[CH2:20][C@H:21]1[NH:22][C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29] YSZITXZGFLECJB-URKNILKWSA-N>>GUJUERMEQOUHRT-FCZZECIWSA-N 0.0 Unrecognized False substrate controlled False [#7;a:9]:[c:8]:[c:2](-[NH2;D1;+0:1]):[c:3]-[C@@H;D3;+0:4](-[C:5])-[CH2;D2;+0:6]-[C:7]>>O=[N+;H0;D3:1](-[O-])-[c:2](:[c:3]-[C;H0;D3;+0:4](-[C:5])=[CH;D2;+0:6]-[C:7]):[c:8]:[#7;a:9] 94b83ae74dcd5f98e39d0ca71a8089308ccfeeb1e893493393e6ba675c234765 O=[N+:7]([O-])[c:6]1[c:5]([C:4]2=[CH:12][C@@H:13]([NH:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[C@@H:22]([O:23][CH2:24][CH2:25][S:26]([CH3:27])(=[O:28])=[O:29])[C@@H:2]([CH3:1])[CH2:3]2)[cH:11][cH:10][n:9][cH:8]1>CCO.[Pd]>[CH3:1][C@H:2]1[CH2:3][C@@H:4]([c:5]2[c:6]([NH2:7])[cH:8][n:9][cH:10][cH:11]2)[CH2:12][C@@H:13]([NH:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[C@H:22]1[O:23][CH2:24][CH2:25][S:26]([CH3:27])(=[O:28])=[O:29] HLBMVZFHSGOGNE-XCRHUMRWSA-N>>FFGIFMWKPJOWBK-JFTQMJAMSA-N 0.0 Unrecognized False substrate controlled False [#7;a:9]:[c:8]:[c:2](-[NH2;D1;+0:1]):[c:3]-[C@@H;D3;+0:4](-[C:5])-[CH2;D2;+0:6]-[C:7]>>O=[N+;H0;D3:1](-[O-])-[c:2](:[c:3]-[C;H0;D3;+0:4](-[C:5])=[CH;D2;+0:6]-[C:7]):[c:8]:[#7;a:9] 94b83ae74dcd5f98e39d0ca71a8089308ccfeeb1e893493393e6ba675c234765 [CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6](=[O:7])[c:8]1[c:9]([O:10][S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])[c:18]2[c:19]([cH:20][c:21]1[CH3:22])[n:23][c:24]([Br:25])[s:26]2>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]([OH:7])[c:8]1[c:9]([O:10][S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])[c:18]2[c:19]([cH:20][c:21]1[CH3:22])[n:23][c:24]([Br:25])[s:26]2 NXYPAOSNZCFLCX-UHFFFAOYSA-N>>KGHRBHKZKWNJCE-QMMMGPOBSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[c:8]>>[C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[c:8] 305564733bfba6f118f7f22ba309c872ed751bdb32e902b4bca723ff76b4a2e0 [O:1]=[C:2]([CH2:3][Br:4])[c:5]1[cH:6][cH:7][c:8]([F:9])[cH:10][cH:11]1>CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.COC(C)(C)C.Cl>[OH:1][C@H:2]([CH2:3][Br:4])[c:5]1[cH:6][cH:7][c:8]([F:9])[cH:10][cH:11]1 ZJFWCELATJMDNO-UHFFFAOYSA-N>>BLCAVFHRXRACAU-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 Br[CH2:14][c:15]1[cH:16][c:17]([Br:18])[cH:19][c:20]([F:21])[cH:22]1.[CH3:1][O:2][C:3]1=[N:4][C@H:5]([CH:6]([CH3:7])[CH3:8])[C:9]([O:10][CH3:11])=[N:12][CH2:13]1>C1CCOC1.CCOC(C)=O.O.Cl.[Li]CCCC.N>[CH3:1][O:2][C:3]1=[N:4][C@H:5]([CH:6]([CH3:7])[CH3:8])[C:9]([O:10][CH3:11])=[N:12][C@H:13]1[CH2:14][c:15]1[cH:16][c:17]([Br:18])[cH:19][c:20]([F:21])[cH:22]1 DAUWIPUGOIFZNF-UHFFFAOYSA-N.FCFWEOGTZZPCTO-MRVPVSSYSA-N>>FREDKLZQIIHDGX-UONOGXRCSA-N 0.0 Unrecognized False substrate controlled False [#7:3]=[C:4]-[C@@H;D3;+0:5](-[#7:6]=[C:7])-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]=[C:4]-[CH2;D2;+0:5]-[#7:6]=[C:7] 8ae87320ea55b898c068a2bfc341489ff469f2b58b37d2addc3e7e398f6c02b1 Br[c:4]1[cH:5][c:6]([CH2:7][c:8]2[cH:9][cH:10][c:11]([O:12][Si:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[CH3:19])[cH:20][cH:21]2)[c:22]([Cl:23])[cH:24][cH:25]1.C[Si](C)(C)[O:29][CH2:28][C@H:27]1[O:26][C:3](=O)[C@H:34]([O:35][Si](C)(C)C)[C@@H:32]([O:33][Si](C)(C)C)[C@@H:30]1[O:31][Si](C)(C)C.[CH3:1][OH:2]>C1CCOC1.CCOC(C)=O.CS(=O)(=O)O.[Li]C(C)(C)C>[CH3:1][O:2][C@@:3]1([c:4]2[cH:5][c:6]([CH2:7][c:8]3[cH:9][cH:10][c:11]([O:12][Si:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[CH3:19])[cH:20][cH:21]3)[c:22]([Cl:23])[cH:24][cH:25]2)[O:26][C@H:27]([CH2:28][OH:29])[C@@H:30]([OH:31])[C@H:32]([OH:33])[C@H:34]1[OH:35] DGZRKOVWOYLOAW-UHFFFAOYSA-N.OKKJLVBELUTLKV-UHFFFAOYSA-N.VNGTZLYNGGLPIZ-WCXIOVBPSA-N>>MHUKMYULWVIJIP-XCVFGXLCSA-N 0.0 Unrecognized False substrate controlled False [C;D1;H3:15]-[O;H0;D2;+0:16]-[C@@;H0;D4;+0:8]1(-[c;H0;D3;+0:1](:[c:2]):[c:3])-[#8:7]-[C:6](-[C:5]-[OH;D1;+0:4])-[C:13](-[OH;D1;+0:14])-[C:11](-[OH;D1;+0:12])-[C:9]-1-[OH;D1;+0:10]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].C-[Si](-C)(-C)-[O;H0;D2;+0:4]-[C:5]-[C:6]1-[#8:7]-[C;H0;D3;+0:8](=O)-[C:9](-[O;H0;D2;+0:10]-[Si](-C)(-C)-C)-[C:11](-[O;H0;D2;+0:12]-[Si](-C)(-C)-C)-[C:13]-1-[O;H0;D2;+0:14]-[Si](-C)(-C)-C.[C;D1;H3:15]-[OH;D1;+0:16] ac05ea797ad41533087f2d9c8a06f3e41b0cb785a4c4402dc43b39330b7bcb43 Br[c:15]1[cH:14][cH:13][c:11]([Cl:12])[c:10]([CH2:9][c:8]2[cH:7][cH:6][c:5]([O:4][CH2:3][CH:2]=[CH2:1])[cH:31][cH:30]2)[cH:29]1.C[Si](C)(C)[O:22][CH2:21][C@H:20]1[O:19][C:16](=[O:17])[C@H:27]([O:28][Si](C)(C)C)[C@@H:25]([O:26][Si](C)(C)C)[C@@H:23]1[O:24][Si](C)(C)C.O[CH3:18]>C1CCOC1.CCOC(C)=O.CS(=O)(=O)O.[Li]CCCC>[CH2:1]=[CH:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([CH2:9][c:10]2[c:11]([Cl:12])[cH:13][cH:14][c:15]([C@:16]3([O:17][CH3:18])[O:19][C@H:20]([CH2:21][OH:22])[C@@H:23]([OH:24])[C@H:25]([OH:26])[C@H:27]3[OH:28])[cH:29]2)[cH:30][cH:31]1 OKKJLVBELUTLKV-UHFFFAOYSA-N.SKLVYFVAADIOHP-UHFFFAOYSA-N.VNGTZLYNGGLPIZ-WCXIOVBPSA-N>>ZYTFEUFLFXPDLL-ZQGJOIPISA-N 0.0 Unrecognized False substrate controlled False [CH3;D1;+0:16]-[O;H0;D2;+0:9]-[C@@;H0;D4;+0:8]1(-[c;H0;D3;+0:1](:[c:2]):[c:3])-[#8:7]-[C:6](-[C:5]-[OH;D1;+0:4])-[C:14](-[OH;D1;+0:15])-[C:12](-[OH;D1;+0:13])-[C:10]-1-[OH;D1;+0:11]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].C-[Si](-C)(-C)-[O;H0;D2;+0:4]-[C:5]-[C:6]1-[#8:7]-[C;H0;D3;+0:8](=[O;H0;D1;+0:9])-[C:10](-[O;H0;D2;+0:11]-[Si](-C)(-C)-C)-[C:12](-[O;H0;D2;+0:13]-[Si](-C)(-C)-C)-[C:14]-1-[O;H0;D2;+0:15]-[Si](-C)(-C)-C.O-[CH3;D1;+0:16] ac05ea797ad41533087f2d9c8a06f3e41b0cb785a4c4402dc43b39330b7bcb43 [CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6](=[O:7])[c:8]1[c:9]([O:10][S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])[c:18]2[c:19]([cH:20][c:21]1[CH3:22])[n:23][c:24]([Br:25])[s:26]2>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]([OH:7])[c:8]1[c:9]([O:10][S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])[c:18]2[c:19]([cH:20][c:21]1[CH3:22])[n:23][c:24]([Br:25])[s:26]2 NXYPAOSNZCFLCX-UHFFFAOYSA-N>>KGHRBHKZKWNJCE-QMMMGPOBSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C@H;D3;+0:6](-[OH;D1;+0:7])-[c:8]>>[C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[c:8] 38ef0ada95a072a831346afc7e59bd11cea2e457992c243050146c66a2feb915 [O:1]=[C:2]([CH2:3][Br:4])[c:5]1[cH:6][cH:7][c:8]([F:9])[cH:10][cH:11]1>CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.COC(C)(C)C.Cl>[OH:1][C@H:2]([CH2:3][Br:4])[c:5]1[cH:6][cH:7][c:8]([F:9])[cH:10][cH:11]1 ZJFWCELATJMDNO-UHFFFAOYSA-N>>BLCAVFHRXRACAU-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c O=P(c1ccccc1)(c1ccccc1)[N:31]=[N+:32]=[N-:33].O[C@@H:21]([CH2:20][O:19][CH2:18][CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][CH2:12][CH2:11]/[CH:10]=[CH:9]\[CH2:8]/[CH:7]=[CH:6]\[CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30]>C1CCOC1.CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][O:19][CH2:20][C@H:21]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])[N:31]=[N+:32]=[N-:33] DFYUUHUCCDDMOB-BHLFLDEQSA-N.MKRTXPORKIRPDG-UHFFFAOYSA-N>>AUBLEVICRSNJFN-UVPYFLNTSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C:3].O=P(-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6])(-c1:c:c:c:c:c:1)-c1:c:c:c:c:c:1 1dfe6fc86feb2fcbb977c63bc91c9fcde39b2898f3a59bc75335a8ddd198fe1a I[c:13]1[cH:14][cH:15][c:16]([C:17]#[N:18])[cH:19][cH:20]1.[CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]([I:9])[c:10]1[CH:11]=[O:12])[C@@H:21]([O:22][Si:23]([CH3:24])([CH3:25])[C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:30][C:31]([CH3:32])([CH3:33])[CH2:34]2>>[CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]([I:9])[c:10]1[C@@H:11]([OH:12])[c:13]1[cH:14][cH:15][c:16]([C:17]#[N:18])[cH:19][cH:20]1)[C@@H:21]([O:22][Si:23]([CH3:24])([CH3:25])[C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:30][C:31]([CH3:32])([CH3:33])[CH2:34]2 HPNNWLIDGYVIJZ-INIZCTEOSA-N.XOKDXPVXJWTSRM-UHFFFAOYSA-N>>AHIQNBSYWRYYGT-LVXARBLLSA-N 0.0 Unrecognized False substrate controlled False [#7;a:4]:[c:5]:[c:6]-[C@@H;D3;+0:7](-[OH;D1;+0:8])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>I-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7;a:4]:[c:5]:[c:6]-[CH;D2;+0:7]=[O;H0;D1;+0:8] 81b84f566fa35bf365467f5afe8a6d980fc936f07053472bc30698c0225efa28 I[c:13]1[cH:14][cH:15][c:16]([C:17]([CH3:18])([CH3:19])[C:20]#[N:21])[cH:22][cH:23]1.[CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]([I:9])[c:10]1[CH:11]=[O:12])[C@@H:24]([O:25][Si:26]([CH3:27])([CH3:28])[C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:33][C:34]([CH3:35])([CH3:36])[CH2:37]2>C1CCOC1>[CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]([I:9])[c:10]1[C@@H:11]([OH:12])[c:13]1[cH:14][cH:15][c:16]([C:17]([CH3:18])([CH3:19])[C:20]#[N:21])[cH:22][cH:23]1)[C@@H:24]([O:25][Si:26]([CH3:27])([CH3:28])[C:29]([CH3:30])([CH3:31])[CH3:32])[CH2:33][C:34]([CH3:35])([CH3:36])[CH2:37]2 HPNNWLIDGYVIJZ-INIZCTEOSA-N.VBKIZINXAGLZEV-UHFFFAOYSA-N>>BGMQVMXXKKELSL-FIPFOOKPSA-N 0.0 Unrecognized False substrate controlled False [#7;a:4]:[c:5]:[c:6]-[C@@H;D3;+0:7](-[OH;D1;+0:8])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>I-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7;a:4]:[c:5]:[c:6]-[CH;D2;+0:7]=[O;H0;D1;+0:8] 81b84f566fa35bf365467f5afe8a6d980fc936f07053472bc30698c0225efa28 I[c:8]1[cH:7][cH:6][c:5]([CH2:4][CH:2]([CH3:1])[CH3:3])[cH:36][cH:35]1.[CH:9](=[O:10])[c:11]1[c:12]([I:13])[c:14]2[c:15]([n:30][c:31]1[CH:32]([CH3:33])[CH3:34])[CH2:16][C:17]([CH3:18])([CH3:19])[CH2:20][C@@H:21]2[O:22][Si:23]([CH3:24])([CH3:25])[C:26]([CH3:27])([CH3:28])[CH3:29]>>[CH3:1][CH:2]([CH3:3])[CH2:4][c:5]1[cH:6][cH:7][c:8]([C@H:9]([OH:10])[c:11]2[c:12]([I:13])[c:14]3[c:15]([n:30][c:31]2[CH:32]([CH3:33])[CH3:34])[CH2:16][C:17]([CH3:18])([CH3:19])[CH2:20][C@@H:21]3[O:22][Si:23]([CH3:24])([CH3:25])[C:26]([CH3:27])([CH3:28])[CH3:29])[cH:35][cH:36]1 HPNNWLIDGYVIJZ-INIZCTEOSA-N.YLXHPJSTZKDDLN-UHFFFAOYSA-N>>FFEUDWOAPIZCJH-OUTSHDOLSA-N 0.0 Unrecognized False substrate controlled False [#7;a:4]:[c:5]:[c:6]-[C@@H;D3;+0:7](-[OH;D1;+0:8])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>I-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7;a:4]:[c:5]:[c:6]-[CH;D2;+0:7]=[O;H0;D1;+0:8] 81b84f566fa35bf365467f5afe8a6d980fc936f07053472bc30698c0225efa28 I[c:13]1[cH:14][cH:15][c:16]([C:17]([CH3:18])([F:19])[F:20])[cH:21][cH:22]1.[CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]([I:9])[c:10]1[CH:11]=[O:12])[C@@H:23]([O:24][Si:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:32][C:33]([CH3:34])([CH3:35])[CH2:36]2>>[CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]([I:9])[c:10]1[C@@H:11]([OH:12])[c:13]1[cH:14][cH:15][c:16]([C:17]([CH3:18])([F:19])[F:20])[cH:21][cH:22]1)[C@@H:23]([O:24][Si:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:32][C:33]([CH3:34])([CH3:35])[CH2:36]2 FBCXCVLCLGLRNO-UHFFFAOYSA-N.HPNNWLIDGYVIJZ-INIZCTEOSA-N>>BVSNQZFDYQUMFB-LVXARBLLSA-N 0.0 Unrecognized False substrate controlled False [#7;a:4]:[c:5]:[c:6]-[C@@H;D3;+0:7](-[OH;D1;+0:8])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>I-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7;a:4]:[c:5]:[c:6]-[CH;D2;+0:7]=[O;H0;D1;+0:8] 81b84f566fa35bf365467f5afe8a6d980fc936f07053472bc30698c0225efa28 I[c:12]1[cH:13][cH:14][c:15]([C:16]([CH3:17])([CH3:18])[CH3:19])[cH:20][cH:21]1.[CH3:1][C:2]1([CH3:3])[CH2:4][c:5]2[c:6]([c:7]([I:8])[c:9]([CH:10]=[O:11])[c:22]([CH:23]3[CH2:24][CH2:25][O:26][CH2:27][CH2:28]3)[n:29]2)[C@@H:30]([O:31][Si:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:39]1>>[CH3:1][C:2]1([CH3:3])[CH2:4][c:5]2[c:6]([c:7]([I:8])[c:9]([C@@H:10]([OH:11])[c:12]3[cH:13][cH:14][c:15]([C:16]([CH3:17])([CH3:18])[CH3:19])[cH:20][cH:21]3)[c:22]([CH:23]3[CH2:24][CH2:25][O:26][CH2:27][CH2:28]3)[n:29]2)[C@@H:30]([O:31][Si:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:39]1 GLGANEJWDLAMHY-SFHVURJKSA-N.WQVIVQDHNKQWTM-UHFFFAOYSA-N>>FCEBWSMBAIROFX-QCDSWUKFSA-N 0.0 Unrecognized False substrate controlled False [#7;a:4]:[c:5]:[c:6]-[C@@H;D3;+0:7](-[OH;D1;+0:8])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>I-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7;a:4]:[c:5]:[c:6]-[CH;D2;+0:7]=[O;H0;D1;+0:8] 81b84f566fa35bf365467f5afe8a6d980fc936f07053472bc30698c0225efa28 I[c:8]1[cH:7][cH:6][c:5]([O:4][CH:2]([CH3:1])[CH3:3])[cH:36][cH:35]1.[CH:9](=[O:10])[c:11]1[c:12]([I:13])[c:14]2[c:15]([n:30][c:31]1[CH:32]([CH3:33])[CH3:34])[CH2:16][C:17]([CH3:18])([CH3:19])[CH2:20][C@@H:21]2[O:22][Si:23]([CH3:24])([CH3:25])[C:26]([CH3:27])([CH3:28])[CH3:29]>C1CCOC1.CC(C)[Mg]Cl.CC(C)[Mg]Cl.O.O=C(O)O.Cl.[Cs+].[Cs+].[Cs+].F.[Li+]>[CH3:1][CH:2]([CH3:3])[O:4][c:5]1[cH:6][cH:7][c:8]([C@H:9]([OH:10])[c:11]2[c:12]([I:13])[c:14]3[c:15]([n:30][c:31]2[CH:32]([CH3:33])[CH3:34])[CH2:16][C:17]([CH3:18])([CH3:19])[CH2:20][C@@H:21]3[O:22][Si:23]([CH3:24])([CH3:25])[C:26]([CH3:27])([CH3:28])[CH3:29])[cH:35][cH:36]1 HPNNWLIDGYVIJZ-INIZCTEOSA-N.NULYQBMKXDZCNQ-UHFFFAOYSA-N>>APGXGULIMATBPB-FIPFOOKPSA-N 0.0 Unrecognized False substrate controlled False [#7;a:4]:[c:5]:[c:6]-[C@@H;D3;+0:7](-[OH;D1;+0:8])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>I-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7;a:4]:[c:5]:[c:6]-[CH;D2;+0:7]=[O;H0;D1;+0:8] 81b84f566fa35bf365467f5afe8a6d980fc936f07053472bc30698c0225efa28 Br[Mg][c:13]1[cH:14][cH:15][c:16]([Cl:17])[cH:18][cH:19]1.[CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]([I:9])[c:10]1[CH:11]=[O:12])[C@@H:20]([O:21][Si:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:29][C:30]([CH3:31])([CH3:32])[CH2:33]2>>[CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]([I:9])[c:10]1[C@@H:11]([OH:12])[c:13]1[cH:14][cH:15][c:16]([Cl:17])[cH:18][cH:19]1)[C@@H:20]([O:21][Si:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:29][C:30]([CH3:31])([CH3:32])[CH2:33]2 CDEMHJCJMMOFMB-UHFFFAOYSA-M.HPNNWLIDGYVIJZ-INIZCTEOSA-N>>QFFTXWHRLAKPQE-CPJSRVTESA-N 0.0 Unrecognized False substrate controlled False [#7;a:4]:[c:5]:[c:6]-[C@@H;D3;+0:7](-[OH;D1;+0:8])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>Br-[Mg]-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7;a:4]:[c:5]:[c:6]-[CH;D2;+0:7]=[O;H0;D1;+0:8] f4aa5dad62924ac5b67aef588ecb12a87383ad96436c2523418e67a5007a622d Br[Mg][c:12]1[cH:13][cH:14][c:15]([F:16])[cH:17][cH:18]1.[CH3:1][C:2]1([CH3:3])[CH2:4][c:5]2[c:6]([c:7]([I:8])[c:9]([CH:10]=[O:11])[c:19]([CH:20]3[CH2:21][CH2:22][CH2:23][CH2:24]3)[n:25]2)[C@@H:26]([O:27][Si:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:35]1>>[CH3:1][C:2]1([CH3:3])[CH2:4][c:5]2[c:6]([c:7]([I:8])[c:9]([C@@H:10]([OH:11])[c:12]3[cH:13][cH:14][c:15]([F:16])[cH:17][cH:18]3)[c:19]([CH:20]3[CH2:21][CH2:22][CH2:23][CH2:24]3)[n:25]2)[C@@H:26]([O:27][Si:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:35]1 HHOCUAYOGHJWQY-SFHVURJKSA-N.QYBFFRXNNFXREA-UHFFFAOYSA-M>>KUZKOOGJMVYFJW-CUNXSJBXSA-N 0.0 Unrecognized False substrate controlled False [#7;a:4]:[c:5]:[c:6]-[C@@H;D3;+0:7](-[OH;D1;+0:8])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>Br-[Mg]-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7;a:4]:[c:5]:[c:6]-[CH;D2;+0:7]=[O;H0;D1;+0:8] f4aa5dad62924ac5b67aef588ecb12a87383ad96436c2523418e67a5007a622d Br[Mg][c:7]1[cH:6][cH:5][c:4]([CH:2]([CH3:1])[CH3:3])[cH:36][cH:35]1.[CH:8](=[O:9])[c:10]1[c:11]([I:12])[c:13]2[c:14]([n:30][c:31]1[CH:32]([CH3:33])[CH3:34])[CH2:15][C:16]1([CH2:17][CH2:18][CH2:19]1)[CH2:20][C@@H:21]2[O:22][Si:23]([CH3:24])([CH3:25])[C:26]([CH3:27])([CH3:28])[CH3:29]>>[CH3:1][CH:2]([CH3:3])[c:4]1[cH:5][cH:6][c:7]([C@H:8]([OH:9])[c:10]2[c:11]([I:12])[c:13]3[c:14]([n:30][c:31]2[CH:32]([CH3:33])[CH3:34])[CH2:15][C:16]2([CH2:17][CH2:18][CH2:19]2)[CH2:20][C@@H:21]3[O:22][Si:23]([CH3:24])([CH3:25])[C:26]([CH3:27])([CH3:28])[CH3:29])[cH:35][cH:36]1 DQVAMGAIVJPIRK-KRWDZBQOSA-N.VLHDTCQJXYKEJT-UHFFFAOYSA-M>>QWPSRURFENXUOB-OUTSHDOLSA-N 0.0 Unrecognized False substrate controlled False [#7;a:4]:[c:5]:[c:6]-[C@@H;D3;+0:7](-[OH;D1;+0:8])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>Br-[Mg]-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7;a:4]:[c:5]:[c:6]-[CH;D2;+0:7]=[O;H0;D1;+0:8] f4aa5dad62924ac5b67aef588ecb12a87383ad96436c2523418e67a5007a622d [CH3:1][C:2]1([CH3:3])[CH2:4][c:5]2[c:6]([c:7]3[c:8]([c:18]([Cl:19])[n:20]2)[C:9](=[O:10])[O:11][C:12]32[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[C:21](=[O:22])[CH2:23]1>B.C1CCOC1.CCN(CC)c1ccccc1.CO.N[C@@H]1c2ccccc2C[C@@H]1O>[CH3:1][C:2]1([CH3:3])[CH2:4][c:5]2[c:6]([c:7]3[c:8]([c:18]([Cl:19])[n:20]2)[C:9](=[O:10])[O:11][C:12]32[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[C@@H:21]([OH:22])[CH2:23]1 RTPRXYHGUUNIMX-UHFFFAOYSA-N>>RWHMPKHTWWIRFT-JTQLQIEISA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 8195ad48987c12d459870b75bedef46a37480b4c6c44771b180631aa2774a53a [CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]3[c:9]1[C:10](=[O:11])[O:12][C:13]31[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1)[C:19](=[O:20])[CH2:21][C:22]([CH3:23])([CH3:24])[CH2:25]2>B.C1CCOC1.CCN(CC)c1ccccc1.CO.N[C@@H]1c2ccccc2C[C@@H]1O>[CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]3[c:9]1[C:10](=[O:11])[O:12][C:13]31[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1)[C@@H:19]([OH:20])[CH2:21][C:22]([CH3:23])([CH3:24])[CH2:25]2 UCKCQAWGFLMNMC-UHFFFAOYSA-N>>SOEXXKZQXQIOKD-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 8195ad48987c12d459870b75bedef46a37480b4c6c44771b180631aa2774a53a [CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]3[c:9]1[C@H:10]([c:11]1[cH:12][cH:13][c:14]([C:15]([F:16])([F:17])[F:18])[cH:19][cH:20]1)[O:21][C:22]31[CH2:23][CH2:24][CH2:25][CH2:26]1)[C:27](=[O:28])[CH2:29][C:30]([CH3:31])([CH3:32])[CH2:33]2>C1CCOC1.CCOC(C)=O.O.[Al+3].[HH].[HH].[HH].[HH].[Li+].[Na+].O>[CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]3[c:9]1[C@H:10]([c:11]1[cH:12][cH:13][c:14]([C:15]([F:16])([F:17])[F:18])[cH:19][cH:20]1)[O:21][C:22]31[CH2:23][CH2:24][CH2:25][CH2:26]1)[C@@H:27]([OH:28])[CH2:29][C:30]([CH3:31])([CH3:32])[CH2:33]2 IHHFYTCJHRIFEB-DEOSSOPVSA-N>>XQVSUCVPHONOCM-CYFREDJKSA-N 0.0 Unrecognized False substrate controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 8195ad48987c12d459870b75bedef46a37480b4c6c44771b180631aa2774a53a [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[c:8]([N:9]2[CH2:10][CH2:11][C:12]([CH3:13])([CH3:14])[CH2:15][CH2:16]2)[n:17]2[n:18][c:19](-[c:20]3[cH:21][cH:22][cH:23][c:24](-[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:31]3)[n:32][c:33]2[n:34][c:35]1[CH3:36]>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([OH:6])[c:7]1[c:8]([N:9]2[CH2:10][CH2:11][C:12]([CH3:13])([CH3:14])[CH2:15][CH2:16]2)[n:17]2[n:18][c:19](-[c:20]3[cH:21][cH:22][cH:23][c:24](-[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:31]3)[n:32][c:33]2[n:34][c:35]1[CH3:36] DLUNLNUTBRTVOB-UHFFFAOYSA-N>>FDJKUAXSNONTQZ-QHCPKHFHSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11] 7b5a89e5196706e8b7669458c5c57ac70c4458d0ba4074de954289e1a1ec33e0 Cl[OH:8].[F:1][c:2]1[cH:3][c:4]2[c:5]([c:10]([Br:11])[cH:12]1)[CH2:6][CH:7]=[CH:9]2>CC(C)(C)c1cc(C=N[C@H]2CCCC[C@@H]2N=Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.ClCCl.Cl.[Mn+3].[Na+].[O-][n+]1ccc(CCCc2ccccc2)cc1>[F:1][c:2]1[cH:3][c:4]2[c:5]([c:10]([Br:11])[cH:12]1)[CH2:6][C@H:7]1[O:8][C@@H:9]21 AKDNYUBBSKHMDT-UHFFFAOYSA-N.QWPPOHNGKGFGJK-UHFFFAOYSA-N>>GUNFNPWEFLOASN-BDAKNGLRSA-N 0.0 Unrecognized True reagent controlled False [C@@H;D3;+0:2]1-[C@H;D3;+0:3]-[O;H0;D2;+0:1]-1>>Cl-[OH;D1;+0:1].[CH;D2;+0:2]=[CH;D2;+0:3] 0a2fc8d2c1e1a6a01dc81bf83e3c9b90d1720489fd6bff98f3bc17c35940f108 O[C@@H:15]([CH3:16])[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[CH3:1][c:2]1[cH:3][c:4](-[c:5]2[cH:6][c:7]([S:8]([CH3:9])(=[O:10])=[O:11])[cH:12][c:13]([OH:14])[cH:23]2)[cH:24][n:25]([CH3:26])[c:27]1=[O:28]>C1CCOC1.CC(C)OC(=O)/N=N/C(=O)OC(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][c:2]1[cH:3][c:4](-[c:5]2[cH:6][c:7]([S:8]([CH3:9])(=[O:10])=[O:11])[cH:12][c:13]([O:14][C@H:15]([CH3:16])[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[cH:23]2)[cH:24][n:25]([CH3:26])[c:27]1=[O:28] LGMYLIMGGDKASQ-UHFFFAOYSA-N.WAPNOHKVXSQRPX-ZETCQYMHSA-N>>ULCFJZIWNBAUMI-MRXNPFEDSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de [O:1]=[C:2]([OH:3])[C:4](=[O:5])[CH2:6][c:7]1[cH:8][cH:9][c:10]([OH:11])[cH:12][cH:13]1>C1CCOC1.CCCCCC.CCN(CC)CC.C[C@@H]1[C@@H]2C[C@@H](C[C@H]1B(Cl)[C@@H]1C[C@@H]3C[C@H]([C@H]1C)C3(C)C)C2(C)C.[Na+].O>[O:1]=[C:2]([OH:3])[C@H:4]([OH:5])[CH2:6][c:7]1[cH:8][cH:9][c:10]([OH:11])[cH:12][cH:13]1 KKADPXVIOXHVKN-UHFFFAOYSA-N>>JVGVDSSUAVXRDY-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4](=[O;D1;H0:5])-[O;D1;H1:6]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4](=[O;D1;H0:5])-[O;D1;H1:6] 3b2543c806d119f988a79a599293c112b9a5c6b14618e56965da4b772b8aeac0 O=[CH:15][c:14]1[c:8]([N:7]2[CH2:6][C@H:4]([CH3:5])[O:3][C@H:2]([CH3:1])[CH2:25]2)[c:9]([Cl:10])[c:11]2[c:12]([n:13]1)[c:26](-[c:27]1[cH:28][c:29]([F:30])[c:31]([C:32]#[N:33])[cH:34][cH:35]1)[n:36][o:37]2.[CH2:16]1[C:17](=[O:18])[NH:19][C:20](=[O:21])[NH:22][C:23]1=[O:24]>CC(C)O>[CH3:1][C@@H:2]1[O:3][C@H:4]([CH3:5])[CH2:6][N:7]2[c:8]3[c:9]([Cl:10])[c:11]4[c:12]([n:13][c:14]3[CH2:15][C:16]3([C:17](=[O:18])[NH:19][C:20](=[O:21])[NH:22][C:23]3=[O:24])[C@@H:25]12)[c:26](-[c:27]1[cH:28][c:29]([F:30])[c:31]([C:32]#[N:33])[cH:34][cH:35]1)[n:36][o:37]4 HNYOPLTXPVRDBG-UHFFFAOYSA-N.UHLMXHXAVUNYPC-PHIMTYICSA-N>>QWIFQCRQSXBKEA-ZJNREGCTSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D4;+0:6]1-[C@@H;D3;+0:5]-[N;H0;D3;+0:4]-[c;H0;D3;+0:3]:[c;H0;D3;+0:2]-[CH2;D2;+0:1]-1>>O=[CH;D2;+0:1]-[c;H0;D3;+0:2]:[c;H0;D3;+0:3]-[N;H0;D3;+0:4]-[CH2;D2;+0:5].[CH2;D2;+0:6] 33a55cecae4c9888e9e04f7137c4d1dcf6443273819f6dca14ede68d1a3b30da [CH3:1][C:2]1([CH3:3])[CH2:4][c:5]2[c:6]([c:7]3[c:8]([c:18]([Cl:19])[n:20]2)[C:9](=[O:10])[O:11][C:12]32[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[C:21](=[O:22])[CH2:23]1>B.C1CCOC1.CCN(CC)c1ccccc1.CO.N[C@@H]1c2ccccc2C[C@@H]1O>[CH3:1][C:2]1([CH3:3])[CH2:4][c:5]2[c:6]([c:7]3[c:8]([c:18]([Cl:19])[n:20]2)[C:9](=[O:10])[O:11][C:12]32[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[C@@H:21]([OH:22])[CH2:23]1 RTPRXYHGUUNIMX-UHFFFAOYSA-N>>RWHMPKHTWWIRFT-JTQLQIEISA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 59818681547a35b540f5f8f7dbade1077a9ae258660c4149c86b99538d1ed2c0 [CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]3[c:9]1[C:10](=[O:11])[O:12][C:13]31[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1)[C:19](=[O:20])[CH2:21][C:22]([CH3:23])([CH3:24])[CH2:25]2>B.C1CCOC1.CCN(CC)c1ccccc1.CO.N[C@@H]1c2ccccc2C[C@@H]1O>[CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]3[c:9]1[C:10](=[O:11])[O:12][C:13]31[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1)[C@@H:19]([OH:20])[CH2:21][C:22]([CH3:23])([CH3:24])[CH2:25]2 UCKCQAWGFLMNMC-UHFFFAOYSA-N>>SOEXXKZQXQIOKD-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 59818681547a35b540f5f8f7dbade1077a9ae258660c4149c86b99538d1ed2c0 [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[c:8]([N:9]2[CH2:10][CH2:11][C:12]([CH3:13])([CH3:14])[CH2:15][CH2:16]2)[n:17]2[n:18][c:19](-[c:20]3[cH:21][cH:22][cH:23][c:24](-[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:31]3)[n:32][c:33]2[n:34][c:35]1[CH3:36]>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([OH:6])[c:7]1[c:8]([N:9]2[CH2:10][CH2:11][C:12]([CH3:13])([CH3:14])[CH2:15][CH2:16]2)[n:17]2[n:18][c:19](-[c:20]3[cH:21][cH:22][cH:23][c:24](-[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:31]3)[n:32][c:33]2[n:34][c:35]1[CH3:36] DLUNLNUTBRTVOB-UHFFFAOYSA-N>>FDJKUAXSNONTQZ-QHCPKHFHSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C;D1;H3:11] ee8cb2d95bcb5bc67f2fb07ff0646f6d82222a8c819b7386e9cf753e380993ca [O:1]=[C:2]([OH:3])[C:4](=[O:5])[CH2:6][c:7]1[cH:8][cH:9][c:10]([OH:11])[cH:12][cH:13]1>C1CCOC1.CCCCCC.CCN(CC)CC.C[C@@H]1[C@@H]2C[C@@H](C[C@H]1B(Cl)[C@@H]1C[C@@H]3C[C@H]([C@H]1C)C3(C)C)C2(C)C.[Na+].O>[O:1]=[C:2]([OH:3])[C@H:4]([OH:5])[CH2:6][c:7]1[cH:8][cH:9][c:10]([OH:11])[cH:12][cH:13]1 KKADPXVIOXHVKN-UHFFFAOYSA-N>>JVGVDSSUAVXRDY-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4](=[O;D1;H0:5])-[O;D1;H1:6]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4](=[O;D1;H0:5])-[O;D1;H1:6] 5b439e6a69d98e64932bc910d12b9d9507366ff03df6822aa22ba754d37a0b91 [O:1]=[C:2]1[CH2:3][CH2:4][c:5]2[c:6]([Br:7])[cH:8][cH:9][c:10]([F:11])[c:12]21>CC(=O)N[C@@H](CS)C(=O)O.Cc1ccccc1.Cl.O.O=CO>[OH:1][C@H:2]1[CH2:3][CH2:4][c:5]2[c:6]([Br:7])[cH:8][cH:9][c:10]([F:11])[c:12]21 HNXHWYGTXAJDEC-UHFFFAOYSA-N>>NLVVNRITLSLCDP-QMMMGPOBSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@:9]1([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:17][C:18](=[O:19])[C@@H:20]2[C@H:21]1[C@H:22]2[C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29]>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.O=C(O)O.OO.[Li+].[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@:9]1([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:17][C@H:18]([OH:19])[C@@H:20]2[C@H:21]1[C@H:22]2[C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29] UHCSVCBZFNGHAA-BWNADHONSA-N>>MGCOGZQFKUMXHY-MZFWNCQDSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C:2](=[O:3])[c:4]1[n:5][c:6]2[cH:7][c:8]([Br:9])[cH:10][cH:11][c:12]2[cH:13][cH:14]1>C1CCOC1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)cc1.Cl[Ru]Cl.Cl[Ru]Cl.O.O=CO.[Na+]>[CH3:1][C@@H:2]([OH:3])[c:4]1[n:5][c:6]2[cH:7][c:8]([Br:9])[cH:10][cH:11][c:12]2[cH:13][cH:14]1 WAMZNXBCYMTGHB-UHFFFAOYSA-N>>HHHCUXIBSUVETB-SSDOTTSWSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]-[C@@H;D3;+0:3](-[C;D1;H3:4])-[OH;D1;+0:5]>>[#7;a:1]:[c:2]-[C;H0;D3;+0:3](-[C;D1;H3:4])=[O;H0;D1;+0:5] 4672cc10e7f17fd78b474dab59cad4434e7eecbb4579adc8c4c1468d077e6b1e [O:1]=[C:2]1[CH2:3][CH2:4][c:5]2[c:6]([Br:7])[cH:8][cH:9][c:10]([F:11])[c:12]21>CC(=O)N[C@@H](CS)C(=O)O.Cc1ccccc1.Cl.O.O=CO>[OH:1][C@H:2]1[CH2:3][CH2:4][c:5]2[c:6]([Br:7])[cH:8][cH:9][c:10]([F:11])[c:12]21 HNXHWYGTXAJDEC-UHFFFAOYSA-N>>NLVVNRITLSLCDP-QMMMGPOBSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][C:2](=[O:3])[c:4]1[n:5][c:6]2[cH:7][c:8]([Br:9])[cH:10][cH:11][c:12]2[cH:13][cH:14]1>C1CCOC1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)cc1.Cl[Ru]Cl.Cl[Ru]Cl.O.O=CO.[Na+]>[CH3:1][C@@H:2]([OH:3])[c:4]1[n:5][c:6]2[cH:7][c:8]([Br:9])[cH:10][cH:11][c:12]2[cH:13][cH:14]1 WAMZNXBCYMTGHB-UHFFFAOYSA-N>>HHHCUXIBSUVETB-SSDOTTSWSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]-[C@H;D3;+0:3](-[C;D1;H3:4])-[OH;D1;+0:5]>>[#7;a:1]:[c:2]-[C;H0;D3;+0:3](-[C;D1;H3:4])=[O;H0;D1;+0:5] 439910f0ec84fc11a36d00d5e6a4edbc841ea487b63c909aa068c82b3ec914b0 Br[CH2:8][C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7].[CH2:9]([CH2:10][CH2:11][O:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[C:20](=[O:21])[N:22]1[C:23](=[O:24])[O:25][CH2:26][C@@H:27]1[CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>C1CCOC1.CNCCN(C)C.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][C@@H:9]([CH2:10][CH2:11][O:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[C:20](=[O:21])[N:22]1[C:23](=[O:24])[O:25][CH2:26][C@@H:27]1[CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1 BNWCETAHAJSBFG-UHFFFAOYSA-N.PPWAXELJUXMDJA-IBGZPJMESA-N>>PQNCLOJYIDOBOK-PKTZIBPZSA-N 0.0 Unrecognized False substrate controlled False [#7:9]-[C:10](=[O;D1;H0:11])-[C@H;D3;+0:12](-[C:13])-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8]>>Br-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8].[#7:9]-[C:10](=[O;D1;H0:11])-[CH2;D2;+0:12]-[C:13] 13fabe3179acc35e807f6dcf92033fb8f67f00945b64e9fb074a77e62595aa31 CS(=O)(=O)O[C@@H:14]1[CH2:15][CH2:16][C@H:17]([NH:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:26]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:9]2[n:10][c:11]([CH2:12][SH:13])[c:27]([CH3:28])[o:29]2)[cH:30][cH:31]1>CN(C)C=O>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:9]2[n:10][c:11]([CH2:12][S:13][C@H:14]3[CH2:15][CH2:16][C@H:17]([NH:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:26]3)[c:27]([CH3:28])[o:29]2)[cH:30][cH:31]1 JXZDFBVTHIDQDB-DTWKUNHWSA-N.PBUSCPVBCNMVBV-UHFFFAOYSA-N>>GNEWFVNUXNZDOT-ROUUACIJSA-N 0.0 Unrecognized False stereospecific False [C:4]-[S;H0;D2;+0:5]-[C@@H;D3;+0:1](-[C:2])-[C:3]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3].[C:4]-[SH;D1;+0:5] 81dff9227863e3f37ff62cf1b33a191de8d047efd2b336f35e16b58676c56b91 [CH3:1][O:2][CH2:3][CH2:4][O:5][CH2:6][CH2:7][CH2:8][C@:9]12[CH2:10][CH2:11][C:12]3=[C:13]([CH2:14][CH2:15][c:16]4[c:17]3[cH:18][cH:19][c:20]([O:21][CH3:22])[cH:23]4)[C:24]1=[CH:25][CH2:26][C:27]2=[O:28]>C1COCCO1.[Ni]>[CH3:1][O:2][CH2:3][CH2:4][O:5][CH2:6][CH2:7][CH2:8][C@:9]12[CH2:10][CH2:11][C:12]3=[C:13]([CH2:14][CH2:15][c:16]4[c:17]3[cH:18][cH:19][c:20]([O:21][CH3:22])[cH:23]4)[C@@H:24]1[CH2:25][CH2:26][C:27]2=[O:28] YFRPPMDCBNAYES-DEOSSOPVSA-N>>FGUPJUDHHGLYAI-UPVQGACJSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@H;D3;+0:3]1-[C:8]-[C:6](=[O;D1;H0:7])-[C:5]-[CH2;D2;+0:4]-1>>[C:1]=[C:2]-[C;H0;D3;+0:3]1=[CH;D2;+0:4]-[C:5]-[C:6](=[O;D1;H0:7])-[C:8]-1 d00561450938f5a21b3be79f9496c7800e832a0c02fa04cd69ed012815e6c75e [CH3:1][O:2][CH2:3][CH2:4][O:5][CH2:6][CH2:7][CH2:8][C@:9]12[CH2:10][CH2:11][C:12]3=[C:23]([CH2:22][CH2:21][c:14]4[c:13]3[cH:20][cH:19][c:16]([O:17][CH3:18])[cH:15]4)[C@@H:24]1[CH2:25][CH2:26][CH:27]2[OH:28]>C1CCOC1.N.Nc1ccccc1.Cl.[Li].N>[CH3:1][O:2][CH2:3][CH2:4][O:5][CH2:6][CH2:7][CH2:8][C@:9]12[CH2:10][CH2:11][C@@H:12]3[c:13]4[c:14]([cH:15][c:16]([O:17][CH3:18])[cH:19][cH:20]4)[CH2:21][CH2:22][C@H:23]3[C@@H:24]1[CH2:25][CH2:26][CH:27]2[OH:28] OFLDTIYPELOGHV-OTKIHZFJSA-N>>ISTNDWUQHFZALR-HPAZHGAPSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[c:3])-[C@@H;D3;+0:4](-[C:5])-[C:6]>>[C:1]-[C;H0;D3;+0:2](-[c:3])=[C;H0;D3;+0:4](-[C:5])-[C:6] 10343437b48677ca58f20cd807a719af439eee956b609c7361d76381aa691fcf [O:1]=[C:2]([O:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[C@@H:11]1[CH2:12][CH2:13][C:14](=[N:15][O:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[CH2:24][NH:25]1>B.C1CCOC1.C1CCOC1.CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2>[O:1]=[C:2]([O:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[C@@H:11]1[CH2:12][CH2:13][C@@H:14]([NH:15][O:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[CH2:24][NH:25]1 AWQXWHGUAORNIK-IBGZPJMESA-N>>SHMFBKYBBMGQSQ-MOPGFXCFSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@@H;D3;+0:3](-[C:4])-[NH;D2;+0:5]-[#8:6]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[N;H0;D2;+0:5]-[#8:6] df8e1c3e1a9fc6fd95e834acad65802444b9780358940dcdd600e65e47ba005a [O:1]=[C:2]([NH:3][CH:4]1[CH2:5][CH2:6][N:7]([C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH2:18][CH2:19]1)[C@@H:20]1[CH2:21][CH2:22][C:23](=[N:24][O:25][CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH2:33][NH:34]1>C1CCOC1.CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2.O=C(O)O.[Na+]>[O:1]=[C:2]([NH:3][CH:4]1[CH2:5][CH2:6][N:7]([C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH2:18][CH2:19]1)[C@@H:20]1[CH2:21][CH2:22][C@@H:23]([NH:24][O:25][CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH2:33][NH:34]1 WQMYYAWMLKYIFV-DEOSSOPVSA-N>>QSYUWIUVLQUIBR-RPWUZVMVSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@@H;D3;+0:3](-[C:4])-[NH;D2;+0:5]-[#8:6]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[N;H0;D2;+0:5]-[#8:6] df8e1c3e1a9fc6fd95e834acad65802444b9780358940dcdd600e65e47ba005a [O:1]=[C:2]([C@@H:3]1[CH2:4][CH2:5][C:6](=[N:7][O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:16][NH:17]1)[N:18]([CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1>C1CCOC1.CC#N.CCOC(C)=O.O.O=S(=O)(O)O.B.[Na+].[Na+].O>[O:1]=[C:2]([C@@H:3]1[CH2:4][CH2:5][C@@H:6]([NH:7][O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:16][NH:17]1)[N:18]([CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1 ABSXRLRXLFOYLC-SANMLTNESA-N>>ZMNVSUMWBNKXNA-FTJBHMTQSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@@H;D3;+0:3](-[C:4])-[NH;D2;+0:5]-[#8:6]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[N;H0;D2;+0:5]-[#8:6] df8e1c3e1a9fc6fd95e834acad65802444b9780358940dcdd600e65e47ba005a [CH3:1][C:2](=[O:3])[c:4]1[cH:5][c:6]2[cH:7][cH:8][c:9]([O:10][CH2:11][c:12]3[cH:13][cH:14][c:15]([F:16])[cH:17][cH:18]3)[cH:19][c:20]2[n:21][cH:22]1>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CO.CSC.Cc1ccccc1.O=C(O)O.[Na+]>[CH3:1][C@@H:2]([OH:3])[c:4]1[cH:5][c:6]2[cH:7][cH:8][c:9]([O:10][CH2:11][c:12]3[cH:13][cH:14][c:15]([F:16])[cH:17][cH:18]3)[cH:19][c:20]2[n:21][cH:22]1 WEZGYEXQLLOXEL-UHFFFAOYSA-N>>RCZDLUYSRPUGDN-GFCCVEGCSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[C;D1;H3:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C;D1;H3:5])=[O;H0;D1;+0:6] 59818681547a35b540f5f8f7dbade1077a9ae258660c4149c86b99538d1ed2c0 [CH3:1][C:2](=[O:3])[c:4]1[cH:5][c:6]2[cH:7][cH:8][c:9]([O:10][CH2:11][c:12]3[cH:13][cH:14][c:15]([F:16])[cH:17][cH:18]3)[cH:19][c:20]2[n:21][cH:22]1>CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CSC.Cc1ccccc1>[CH3:1][C@H:2]([OH:3])[c:4]1[cH:5][c:6]2[cH:7][cH:8][c:9]([O:10][CH2:11][c:12]3[cH:13][cH:14][c:15]([F:16])[cH:17][cH:18]3)[cH:19][c:20]2[n:21][cH:22]1 WEZGYEXQLLOXEL-UHFFFAOYSA-N>>RCZDLUYSRPUGDN-LBPRGKRZSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[C;D1;H3:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C;D1;H3:5])=[O;H0;D1;+0:6] 8195ad48987c12d459870b75bedef46a37480b4c6c44771b180631aa2774a53a [CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6](=[O:7])[c:8]1[c:9](-[c:10]2[cH:11][cH:12][c:13]([Cl:14])[cH:15][cH:16]2)[c:17]2[cH:18][cH:19][c:20]([O:21][S:22](=[O:23])(=[O:24])[C:25]([F:26])([F:27])[F:28])[cH:29][c:30]2[cH:31][c:32]1[CH3:33]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]([OH:7])[c:8]1[c:9](-[c:10]2[cH:11][cH:12][c:13]([Cl:14])[cH:15][cH:16]2)[c:17]2[cH:18][cH:19][c:20]([O:21][S:22](=[O:23])(=[O:24])[C:25]([F:26])([F:27])[F:28])[cH:29][c:30]2[cH:31][c:32]1[CH3:33] MSUMAMSAKMENBZ-UHFFFAOYSA-N>>DNFAPBUOICBDOS-FQEVSTJZSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[c:8]>>[C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[c:8] 305564733bfba6f118f7f22ba309c872ed751bdb32e902b4bca723ff76b4a2e0 [CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6](=[O:7])[c:8]1[c:9]([O:10][S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[c:24]([F:25])[c:26]1[CH3:27]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CC#N.CCOC(C)=O.Cc1ccccc1.O=C(O)O.O=C=O.[Na+].[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]([OH:7])[c:8]1[c:9]([O:10][S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[c:24]([F:25])[c:26]1[CH3:27] GENQBMOKUPZSPK-UHFFFAOYSA-N>>LULQHCMGIKFHCI-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[c:8]>>[C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[c:8] 305564733bfba6f118f7f22ba309c872ed751bdb32e902b4bca723ff76b4a2e0 [CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6](=[O:7])[c:8]1[c:9]([O:10][S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[c:24]([Br:25])[c:26]1[CH3:27]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CC#N.CCOC(C)=O.Cc1ccccc1.O=C(O)O.O=C=O.[Na+].[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]([OH:7])[c:8]1[c:9]([O:10][S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[c:24]([Br:25])[c:26]1[CH3:27] XPQBUIIFYUILQP-UHFFFAOYSA-N>>SVSMFMXAXYFELJ-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[c:8]>>[C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[c:8] 305564733bfba6f118f7f22ba309c872ed751bdb32e902b4bca723ff76b4a2e0 [CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6](=[O:7])[c:8]1[c:9]([O:10][S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[cH:24][c:25]1[CH3:26]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]([OH:7])[c:8]1[c:9]([O:10][S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[cH:24][c:25]1[CH3:26] IRBHXCUBFXIPNZ-UHFFFAOYSA-N>>XVFUMOUXSPRFMS-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[c:8]>>[C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[c:8] 305564733bfba6f118f7f22ba309c872ed751bdb32e902b4bca723ff76b4a2e0 [CH3:1][CH2:2][O:3][c:4]1[c:5]([O:6][CH3:7])[cH:8][cH:9][c:10]([C:11](=[O:12])[CH2:13][S:14]([CH3:15])(=[O:16])=[O:17])[cH:18]1>CC#N.Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1.Cl[Ru+]>[CH3:1][CH2:2][O:3][c:4]1[c:5]([O:6][CH3:7])[cH:8][cH:9][c:10]([C@@H:11]([OH:12])[CH2:13][S:14]([CH3:15])(=[O:16])=[O:17])[cH:18]1 NDPZMKPHRVBCLF-UHFFFAOYSA-N>>BOJZFBQYKGPYNC-JTQLQIEISA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c I[CH2:4][C@H:3]([CH2:2][CH3:1])[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[CH2:5]1[N:6]=[C:7]([O:8][CH3:9])[C@@H:10]([CH:11]([CH3:12])[CH3:13])[N:14]=[C:15]1[O:16][CH3:17]>C1CCOC1.[Li]CCCC>[CH3:1][CH2:2][C@@H:3]([CH2:4][C@@H:5]1[N:6]=[C:7]([O:8][CH3:9])[C@@H:10]([CH:11]([CH3:12])[CH3:13])[N:14]=[C:15]1[O:16][CH3:17])[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1 FCFWEOGTZZPCTO-MRVPVSSYSA-N.HIIZHVFWOAVSTB-VIFPVBQESA-N>>ZYZKTPMTQLVBPQ-BHYGNILZSA-N 0.0 Unrecognized False substrate controlled False [#7:3]=[C:4]-[C@@H;D3;+0:5](-[#7:6]=[C:7])-[CH2;D2;+0:1]-[C:2]>>I-[CH2;D2;+0:1]-[C:2].[#7:3]=[C:4]-[CH2;D2;+0:5]-[#7:6]=[C:7] f772ab2b2472b265f28f8e53a7eb9edf17975d1adebadc0177f17e8dbaaa2e59 N[C@@H:4]([C:2](=[O:1])[OH:3])[CH2:6][CH2:7][C:8]([F:9])([F:10])[F:11].[OH2:5]>CCOCC.O=NO.O=S(=O)(O)O.[Na+]>[O:1]=[C:2]([OH:3])[C@H:4]([OH:5])[CH2:6][CH2:7][C:8]([F:9])([F:10])[F:11] KTZZIDWVKLDWBF-GSVOUGTGSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>IQFJCMWLQCJNHL-GSVOUGTGSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[OH;D1;+0:6])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[OH2;D0;+0:6] 597e60c00d458940162d7a3f76139b2de64f6543c2b538d3961221d7df07e2ca O=[C:2]([CH3:1])[c:10]1[cH:11][cH:12][c:13]([F:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12.[NH2:3][S@:4](=[O:5])[C:6]([CH3:7])([CH3:8])[CH3:9]>C1CCOC1.CC(C)O.CC(C)O.CC(C)O.CC(C)O.CO.O.B.[Na+].[Ti+4]>[CH3:1][C@@H:2]([NH:3][S:4](=[O:5])[C:6]([CH3:7])([CH3:8])[CH3:9])[c:10]1[cH:11][cH:12][c:13]([F:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12 CESUXLKAADQNTB-SSDOTTSWSA-N.GAMOBQXCYKWQLT-UHFFFAOYSA-N>>UPTZHGIFZVELQA-UAPALYRASA-N 0.0 Unrecognized False substrate controlled False [C:4]-[S;H0;D3;+0:5](=[O;D1;H0:7])-[NH;D2;+0:6]-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>O=[C;H0;D3;+0:1](-[C;D1;H3:2])-[c:3].[C:4]-[S@;H0;D3;+0:5](-[NH2;D1;+0:6])=[O;D1;H0:7] 2d2021249593922e7108aecd5e9f4c0c82b6974d7e1daf72f6d0302d80b94678 [CH3:1][CH2:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([Cl:8])[c:9]([Cl:10])[cH:11][cH:12]1>B.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCN(CC)c1ccccc1.CO.COC(C)(C)C.Cl>[CH3:1][CH2:2][C@H:3]([OH:4])[c:5]1[cH:6][c:7]([Cl:8])[c:9]([Cl:10])[cH:11][cH:12]1 FKGDMSJKLIQBQS-UHFFFAOYSA-N>>PJYGECCAJOYJMK-VIFPVBQESA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c O[C@@H:3]([CH2:2][CH3:1])[c:4]1[cH:5][c:6]([Cl:7])[c:8]([Cl:9])[cH:10][cH:11]1.[NH:12]1[C:13](=[O:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[C:21]1=[O:22]>C1CCOC1.CC(C)OC(=O)/N=N/C(=O)OC(C)C.ClCCl.[Na+].O.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][CH2:2][C@H:3]([c:4]1[cH:5][c:6]([Cl:7])[c:8]([Cl:9])[cH:10][cH:11]1)[N:12]1[C:13](=[O:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[C:21]1=[O:22] PJYGECCAJOYJMK-VIFPVBQESA-N.XKJCHHZQLQNZHY-UHFFFAOYSA-N>>VYUWBWJYXQSVHQ-OAHLLOKOSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[N;H0;D3;+0:6]1-[C:5](=[O;D1;H0:4])-[c:14]2:[c:13]:[c:12]:[c:11]:[c:10]:[c:9]:2-[C:7]-1=[O;D1;H0:8]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[O;D1;H0:4]=[C:5]1-[NH;D2;+0:6]-[C:7](=[O;D1;H0:8])-[c:9]2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2-1 4c34d98b10e2b60347a263308cdfd53e3e6e897528575269baa8c219f88f38b9 O[C@@H:4]([CH2:3][O:2][CH3:1])[c:5]1[cH:6][c:7]([Cl:8])[c:9]([Cl:10])[cH:11][cH:12]1.[NH:13]1[C:14](=[O:15])[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2[C:22]1=[O:23]>C1CCOC1.CCOC(=O)/N=N/C(=O)OCC.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][O:2][CH2:3][C@H:4]([c:5]1[cH:6][c:7]([Cl:8])[c:9]([Cl:10])[cH:11][cH:12]1)[N:13]1[C:14](=[O:15])[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2[C:22]1=[O:23] UVZKKSIPQUJSHT-VIFPVBQESA-N.XKJCHHZQLQNZHY-UHFFFAOYSA-N>>VYUSYWMYBGNKRS-OAHLLOKOSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[N;H0;D3;+0:6]1-[C:5](=[O;D1;H0:4])-[c:14]2:[c:13]:[c:12]:[c:11]:[c:10]:[c:9]:2-[C:7]-1=[O;D1;H0:8]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[O;D1;H0:4]=[C:5]1-[NH;D2;+0:6]-[C:7](=[O;D1;H0:8])-[c:9]2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2-1 4c34d98b10e2b60347a263308cdfd53e3e6e897528575269baa8c219f88f38b9 [CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6](=[O:7])[c:8]1[c:9](-[c:10]2[cH:11][cH:12][c:13]([Cl:14])[cH:15][cH:16]2)[c:17]2[cH:18][cH:19][c:20]([O:21][S:22](=[O:23])(=[O:24])[C:25]([F:26])([F:27])[F:28])[cH:29][c:30]2[cH:31][c:32]1[CH3:33]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]([OH:7])[c:8]1[c:9](-[c:10]2[cH:11][cH:12][c:13]([Cl:14])[cH:15][cH:16]2)[c:17]2[cH:18][cH:19][c:20]([O:21][S:22](=[O:23])(=[O:24])[C:25]([F:26])([F:27])[F:28])[cH:29][c:30]2[cH:31][c:32]1[CH3:33] MSUMAMSAKMENBZ-UHFFFAOYSA-N>>DNFAPBUOICBDOS-FQEVSTJZSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C@H;D3;+0:6](-[OH;D1;+0:7])-[c:8]>>[C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[c:8] 38ef0ada95a072a831346afc7e59bd11cea2e457992c243050146c66a2feb915 [CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6](=[O:7])[c:8]1[c:9]([O:10][S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[c:24]([F:25])[c:26]1[CH3:27]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CC#N.CCOC(C)=O.Cc1ccccc1.O=C(O)O.O=C=O.[Na+].[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]([OH:7])[c:8]1[c:9]([O:10][S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[c:24]([F:25])[c:26]1[CH3:27] GENQBMOKUPZSPK-UHFFFAOYSA-N>>LULQHCMGIKFHCI-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C@H;D3;+0:6](-[OH;D1;+0:7])-[c:8]>>[C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[c:8] 38ef0ada95a072a831346afc7e59bd11cea2e457992c243050146c66a2feb915 [CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6](=[O:7])[c:8]1[c:9]([O:10][S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[c:24]([Br:25])[c:26]1[CH3:27]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CC#N.CCOC(C)=O.Cc1ccccc1.O=C(O)O.O=C=O.[Na+].[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]([OH:7])[c:8]1[c:9]([O:10][S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[c:24]([Br:25])[c:26]1[CH3:27] XPQBUIIFYUILQP-UHFFFAOYSA-N>>SVSMFMXAXYFELJ-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C@H;D3;+0:6](-[OH;D1;+0:7])-[c:8]>>[C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[c:8] 38ef0ada95a072a831346afc7e59bd11cea2e457992c243050146c66a2feb915 [CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6](=[O:7])[c:8]1[c:9]([O:10][S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[cH:24][c:25]1[CH3:26]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]([OH:7])[c:8]1[c:9]([O:10][S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[cH:24][c:25]1[CH3:26] IRBHXCUBFXIPNZ-UHFFFAOYSA-N>>XVFUMOUXSPRFMS-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C@H;D3;+0:6](-[OH;D1;+0:7])-[c:8]>>[C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[c:8] 38ef0ada95a072a831346afc7e59bd11cea2e457992c243050146c66a2feb915 [CH3:1][CH2:2][O:3][c:4]1[c:5]([O:6][CH3:7])[cH:8][cH:9][c:10]([C:11](=[O:12])[CH2:13][S:14]([CH3:15])(=[O:16])=[O:17])[cH:18]1>CC#N.Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1.Cl[Ru+]>[CH3:1][CH2:2][O:3][c:4]1[c:5]([O:6][CH3:7])[cH:8][cH:9][c:10]([C@@H:11]([OH:12])[CH2:13][S:14]([CH3:15])(=[O:16])=[O:17])[cH:18]1 NDPZMKPHRVBCLF-UHFFFAOYSA-N>>BOJZFBQYKGPYNC-JTQLQIEISA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][CH2:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([Cl:8])[c:9]([Cl:10])[cH:11][cH:12]1>B.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCN(CC)c1ccccc1.CO.COC(C)(C)C.Cl>[CH3:1][CH2:2][C@H:3]([OH:4])[c:5]1[cH:6][c:7]([Cl:8])[c:9]([Cl:10])[cH:11][cH:12]1 FKGDMSJKLIQBQS-UHFFFAOYSA-N>>PJYGECCAJOYJMK-VIFPVBQESA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [O:1]=[C:2]([CH2:3][Br:4])[c:5]1[cH:6][c:7]([F:8])[c:9]([C:10]([F:11])([F:12])[F:13])[cH:14][cH:15]1>B.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCN(CC)c1ccccc1.COC(C)(C)C>[OH:1][C@@H:2]([CH2:3][Br:4])[c:5]1[cH:6][c:7]([F:8])[c:9]([C:10]([F:11])([F:12])[F:13])[cH:14][cH:15]1 USBBZWYHNIANDV-UHFFFAOYSA-N>>FJXIGIWRTNFDSV-QMMMGPOBSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c O[C@@H:4]([CH2:3][N:2]([CH3:1])[C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[c:5]1[cH:6][c:7]([F:8])[c:9]([C:10]([F:11])([F:12])[F:13])[cH:14][cH:15]1.[NH:16]1[C:17](=[O:18])[c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2[C:25]1=[O:26]>C1CCOC1.CCOC(=O)/N=N/C(=O)OCC.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][N:2]([CH2:3][C@H:4]([c:5]1[cH:6][c:7]([F:8])[c:9]([C:10]([F:11])([F:12])[F:13])[cH:14][cH:15]1)[N:16]1[C:17](=[O:18])[c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2[C:25]1=[O:26])[C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33] QVTNQZNOTAMHSV-LBPRGKRZSA-N.XKJCHHZQLQNZHY-UHFFFAOYSA-N>>HCGZZZVUWVTJGB-GOSISDBHSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[N;H0;D3;+0:6]1-[C:5](=[O;D1;H0:4])-[c:14]2:[c:13]:[c:12]:[c:11]:[c:10]:[c:9]:2-[C:7]-1=[O;D1;H0:8]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[O;D1;H0:4]=[C:5]1-[NH;D2;+0:6]-[C:7](=[O;D1;H0:8])-[c:9]2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2-1 4c34d98b10e2b60347a263308cdfd53e3e6e897528575269baa8c219f88f38b9 CCN(CC)S(F)(F)[F:11].O[C@@H:10]1[CH2:9][N:8]([C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:16][C@H:12]1[N:13]=[N+:14]=[N-:15]>ClCCl.N#N.O=C(O)O.[Na+].[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C@@H:10]([F:11])[C@H:12]([N:13]=[N+:14]=[N-:15])[CH2:16]1 CSJLBAMHHLJAAS-UHFFFAOYSA-N.CSWBTQKOSPXYIE-RNFRBKRXSA-N>>KOCYWXFCVGAWAO-RNFRBKRXSA-N 0.0 Unrecognized False stereospecific False [#7:5]-[C:4]-[C@@H;D3;+0:2](-[C:3])-[F;H0;D1;+0:1]>>C-C-N(-C-C)-S(-F)(-F)-[F;H0;D1;+0:1].O-[C@H;D3;+0:2](-[C:3])-[C:4]-[#7:5] 9701723be8c4c0dbd4b9460921051112454a6cb0634378050e9fed9ebd8b94cb CS(=O)(=O)O[C@@H:6]1[CH2:7][CH2:8][O:9][CH2:10]1.[CH3:1][c:2]1[cH:3][c:4]([OH:5])[cH:11][c:12]([CH3:13])[c:14]1-[c:15]1[cH:16][c:17]([CH2:18][OH:19])[cH:20][cH:21][cH:22]1>CN(C)C=O.O=C(O)O.[Cs+].[Cs+]>[CH3:1][c:2]1[cH:3][c:4]([O:5][C@H:6]2[CH2:7][CH2:8][O:9][CH2:10]2)[cH:11][c:12]([CH3:13])[c:14]1-[c:15]1[cH:16][c:17]([CH2:18][OH:19])[cH:20][cH:21][cH:22]1 KHXQGLSTCGSGLW-RXMQYKEDSA-N.NJJRYJPBXXEAFO-UHFFFAOYSA-N>>KEKUHXFBTAMXCK-KRWDZBQOSA-N 0.0 Unrecognized False stereospecific False [#8:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:5]-[c:6]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#8:4].[OH;D1;+0:5]-[c:6] cd724c8db70cdde87fd93b67dbd1b1189ed8fc09cd78e46486d0777efe0836ed CS(=O)(=O)O[C@H:27]1[CH2:28][CH2:29][N:30]([S:31]([CH3:32])(=[O:33])=[O:34])[CH2:35]1.[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][c:20](-[c:21]3[c:22]([CH3:23])[cH:24][c:25]([OH:26])[cH:36][c:37]3[CH3:38])[cH:39]1)[cH:40]2>CN(C)C=O.O=C(O)O.[Cs+].[Cs+]>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][c:20](-[c:21]3[c:22]([CH3:23])[cH:24][c:25]([O:26][C@@H:27]4[CH2:28][CH2:29][N:30]([S:31]([CH3:32])(=[O:33])=[O:34])[CH2:35]4)[cH:36][c:37]3[CH3:38])[cH:39]1)[cH:40]2 OVXKTWMUCRETTD-LURJTMIESA-N.VMSCNYLKNKMHAP-HXUWFJFHSA-N>>ZWCXYZZRBTWJGB-AOYPEHQESA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:5]-[c:6]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[OH;D1;+0:5]-[c:6] 19a4b42d8caf5b0d7d6ea0f94ee317486f2e3e5dc9494a71c172404a23cb03ec CS(=O)(=O)O[C@@H:6]1[CH2:7][CH2:8][O:9][CH2:10]1.[CH3:1][c:2]1[cH:3][c:4]([OH:5])[cH:11][c:12]([CH3:13])[c:14]1-[c:15]1[cH:16][c:17]([CH2:18][OH:19])[c:20]([F:21])[cH:22][cH:23]1>CN(C)C=O.O=C(O)O.[Cs+].[Cs+]>[CH3:1][c:2]1[cH:3][c:4]([O:5][C@H:6]2[CH2:7][CH2:8][O:9][CH2:10]2)[cH:11][c:12]([CH3:13])[c:14]1-[c:15]1[cH:16][c:17]([CH2:18][OH:19])[c:20]([F:21])[cH:22][cH:23]1 BEMSGOAAUQUKFV-UHFFFAOYSA-N.KHXQGLSTCGSGLW-RXMQYKEDSA-N>>LCVGMVNHUODMGY-INIZCTEOSA-N 0.0 Unrecognized False stereospecific False [#8:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:5]-[c:6]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#8:4].[OH;D1;+0:5]-[c:6] cd724c8db70cdde87fd93b67dbd1b1189ed8fc09cd78e46486d0777efe0836ed CS(=O)(=O)O[C@@H:6]1[CH2:7][CH2:8][O:9][CH2:10]1.[CH3:1][c:2]1[cH:3][c:4]([OH:5])[c:11]([F:12])[c:13]([CH3:14])[c:15]1-[c:16]1[cH:17][c:18]([CH2:19][OH:20])[cH:21][cH:22][cH:23]1>CN(C)C=O.O.O=C(O)O.[Cs+].[Cs+]>[CH3:1][c:2]1[cH:3][c:4]([O:5][C@H:6]2[CH2:7][CH2:8][O:9][CH2:10]2)[c:11]([F:12])[c:13]([CH3:14])[c:15]1-[c:16]1[cH:17][c:18]([CH2:19][OH:20])[cH:21][cH:22][cH:23]1 DZVILCABURCISC-UHFFFAOYSA-N.KHXQGLSTCGSGLW-RXMQYKEDSA-N>>FSAYMBUDCSIURA-INIZCTEOSA-N 0.0 Unrecognized False stereospecific False [#8:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:5]-[c:6]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#8:4].[OH;D1;+0:5]-[c:6] cd724c8db70cdde87fd93b67dbd1b1189ed8fc09cd78e46486d0777efe0836ed O=[C:8]1[C@H:3]([O:2][CH3:1])[CH2:4][O:5][CH2:6][CH2:7]1.[NH2:9][C@@H:10]1[CH2:11][C@H:12]2[O:13][CH2:14][CH2:15][C@@:16]2([C:17](=[O:18])[N:19]2[CH2:20][CH2:21][N:22]([C:23](=[O:24])[O:25][CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[CH2:33][CH2:34]2)[CH2:35]1>>[CH3:1][O:2][C@@H:3]1[CH2:4][O:5][CH2:6][CH2:7][C@@H:8]1[NH:9][C@@H:10]1[CH2:11][C@H:12]2[O:13][CH2:14][CH2:15][C@@:16]2([C:17](=[O:18])[N:19]2[CH2:20][CH2:21][N:22]([C:23](=[O:24])[O:25][CH2:26][c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[CH2:33][CH2:34]2)[CH2:35]1 VEKUAKXJQUFCPT-MBOZVWFJSA-N.YMJJPBWCARDMCG-ZCFIWIBFSA-N>>WTBSUZUBKNXPMR-OGXCTGJYSA-N 0.0 Unrecognized False substrate controlled False [C:4]-[NH;D2;+0:5]-[C@H;D3;+0:1](-[C:2])-[C:3]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[C:4]-[NH2;D1;+0:5] c2454aeb328665781ecf13b70416538e76f18f1493bca8d1b83cab39de9515bc O=[C:8]1[C@H:3]([O:2][CH3:1])[CH2:4][O:5][CH2:6][CH2:7]1.[NH2:9][C@@H:10]1[CH2:11][C@H:12]2[O:13][CH2:14][CH2:15][C@@:16]2([C:17](=[O:18])[N:19]2[CH2:20][CH2:21][c:22]3[c:23]([cH:24][c:25]([C:26]([F:27])([F:28])[F:29])[cH:30][n:31]3)[CH2:32]2)[CH2:33]1>CC(=O)O.CC(=O)OB(OC(C)=O)OC(C)=O.Cl.Cl.ClCCCl.ClCCCl.ClCCl.[Na+]>[CH3:1][O:2][C@@H:3]1[CH2:4][O:5][CH2:6][CH2:7][C@@H:8]1[NH:9][C@@H:10]1[CH2:11][C@H:12]2[O:13][CH2:14][CH2:15][C@@:16]2([C:17](=[O:18])[N:19]2[CH2:20][CH2:21][c:22]3[c:23]([cH:24][c:25]([C:26]([F:27])([F:28])[F:29])[cH:30][n:31]3)[CH2:32]2)[CH2:33]1 HVDBDCLGRNDEPH-XNRPHZJLSA-N.YMJJPBWCARDMCG-ZCFIWIBFSA-N>>QOVXPTCADXFNFV-NEHCWNBQSA-N 0.0 Unrecognized False substrate controlled False [C:4]-[NH;D2;+0:5]-[C@H;D3;+0:1](-[C:2])-[C:3]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[C:4]-[NH2;D1;+0:5] c2454aeb328665781ecf13b70416538e76f18f1493bca8d1b83cab39de9515bc O=[C:8]1[C@H:3]([O:2][CH3:1])[CH2:4][O:5][CH2:6][CH2:7]1.[NH2:9][C@@H:10]1[CH2:11][C@H:12]2[O:13][CH2:14][CH2:15][C@@:16]2([C:17](=[O:18])[N:19]2[CH2:20][O:21][c:22]3[c:23]([cH:24][c:25]([C:26]([F:27])([F:28])[F:29])[cH:30][cH:31]3)[CH2:32]2)[CH2:33]1>>[CH3:1][O:2][C@@H:3]1[CH2:4][O:5][CH2:6][CH2:7][C@@H:8]1[NH:9][C@@H:10]1[CH2:11][C@H:12]2[O:13][CH2:14][CH2:15][C@@:16]2([C:17](=[O:18])[N:19]2[CH2:20][O:21][c:22]3[c:23]([cH:24][c:25]([C:26]([F:27])([F:28])[F:29])[cH:30][cH:31]3)[CH2:32]2)[CH2:33]1 IOATYUPPKODJMI-XNRPHZJLSA-N.YMJJPBWCARDMCG-ZCFIWIBFSA-N>>ARUZBCPDBNETAH-HTJFHPCASA-N 0.0 Unrecognized False substrate controlled False [C:4]-[NH;D2;+0:5]-[C@H;D3;+0:1](-[C:2])-[C:3]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[C:4]-[NH2;D1;+0:5] c2454aeb328665781ecf13b70416538e76f18f1493bca8d1b83cab39de9515bc [O:1]=[C:2]([CH2:3][Br:4])[c:5]1[cH:6][c:7]([F:8])[c:9]([C:10]([F:11])([F:12])[F:13])[cH:14][cH:15]1>B.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCN(CC)c1ccccc1.COC(C)(C)C>[OH:1][C@@H:2]([CH2:3][Br:4])[c:5]1[cH:6][c:7]([F:8])[c:9]([C:10]([F:11])([F:12])[F:13])[cH:14][cH:15]1 USBBZWYHNIANDV-UHFFFAOYSA-N>>FJXIGIWRTNFDSV-QMMMGPOBSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 O=[CH:12][c:11]1[c:9]([F:10])[cH:8][c:7](/[CH:6]=[CH:5]/[C:3]([O:2][CH3:1])=[O:4])[cH:33][c:31]1[F:32].[cH:13]1[c:14]([CH2:15][C@@H:16]([CH3:17])[NH:18][CH2:19][C:20]([CH3:21])([CH3:22])[F:23])[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[nH:30]1>CC(=O)O.Cc1ccccc1.O.O=C(O)O.[K+].[K+]>[CH3:1][O:2][C:3](=[O:4])/[CH:5]=[CH:6]/[c:7]1[cH:8][c:9]([F:10])[c:11]([C@@H:12]2[c:13]3[c:14]([c:24]4[cH:25][cH:26][cH:27][cH:28][c:29]4[nH:30]3)[CH2:15][C@@H:16]([CH3:17])[N:18]2[CH2:19][C:20]([CH3:21])([CH3:22])[F:23])[c:31]([F:32])[cH:33]1 GDGULTXZDPTNNZ-NSCUHMNNSA-N.PBIVLMHOKZWHEW-LLVKDONJSA-N>>NERYNBJQGGYORQ-OCFXUSKDSA-N 0.0 Unrecognized True substrate controlled False [nH;D2;+0:7]:[c;H0;D3;+0:6]1:[c;H0;D3;+0:5]-[CH2;D2;+0:4]-[C@@H;D3;+0:3]-[N;H0;D3;+0:2]-[C@H;D3;+0:1]-1>>O=[CH;D2;+0:1].[NH;D2;+0:2]-[C@@H;D3;+0:3]-[CH2;D2;+0:4]-[c;H0;D3;+0:5]:[cH;D2;+0:6]:[nH;D2;+0:7] 81d3bf248b3770c09bba4d79710852f1e1c0af20ccf6f2481536b57654e56450 O=[CH:11][c:10]1[cH:9][cH:8][c:7](/[CH:6]=[CH:5]/[C:3]([O:2][CH3:1])=[O:4])[cH:31][cH:30]1.[cH:12]1[c:13]([CH2:14][C@@H:15]([CH3:16])[NH:17][CH2:18][C:19]([CH3:20])([CH3:21])[F:22])[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]2[nH:29]1>Cc1ccccc1>[CH3:1][O:2][C:3](=[O:4])/[CH:5]=[CH:6]/[c:7]1[cH:8][cH:9][c:10]([C@@H:11]2[c:12]3[c:13]([c:23]4[cH:24][cH:25][cH:26][cH:27][c:28]4[nH:29]3)[CH2:14][C@@H:15]([CH3:16])[N:17]2[CH2:18][C:19]([CH3:20])([CH3:21])[F:22])[cH:30][cH:31]1 KVXMLLMZXPRPNG-VOTSOKGWSA-N.PBIVLMHOKZWHEW-LLVKDONJSA-N>>HUDKDIKGLTVYKQ-AEFTVVLGSA-N 0.0 Unrecognized True substrate controlled False [nH;D2;+0:7]:[c;H0;D3;+0:6]1:[c;H0;D3;+0:5]-[CH2;D2;+0:4]-[C@@H;D3;+0:3]-[N;H0;D3;+0:2]-[C@H;D3;+0:1]-1>>O=[CH;D2;+0:1].[NH;D2;+0:2]-[C@@H;D3;+0:3]-[CH2;D2;+0:4]-[c;H0;D3;+0:5]:[cH;D2;+0:6]:[nH;D2;+0:7] 81d3bf248b3770c09bba4d79710852f1e1c0af20ccf6f2481536b57654e56450 O=[CH:12][c:11]1[c:9]([F:10])[cH:8][c:7](/[CH:6]=[CH:5]/[C:3]([O:2][CH3:1])=[O:4])[cH:33][c:31]1[F:32].[cH:13]1[c:14]([CH2:15][C@@H:16]([CH3:17])[NH:18][CH2:19][C@H:20]([CH3:21])[CH2:22][F:23])[c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[nH:30]1>CC(=O)O.Cc1ccccc1>[CH3:1][O:2][C:3](=[O:4])/[CH:5]=[CH:6]/[c:7]1[cH:8][c:9]([F:10])[c:11]([C@@H:12]2[c:13]3[c:14]([c:24]4[cH:25][cH:26][cH:27][cH:28][c:29]4[nH:30]3)[CH2:15][C@@H:16]([CH3:17])[N:18]2[CH2:19][C@H:20]([CH3:21])[CH2:22][F:23])[c:31]([F:32])[cH:33]1 GDGULTXZDPTNNZ-NSCUHMNNSA-N.ZVURTQUPKQRQTE-VXGBXAGGSA-N>>PZDAYFVEJZGUGR-UKSOIIMHSA-N 0.0 Unrecognized True substrate controlled False [nH;D2;+0:7]:[c;H0;D3;+0:6]1:[c;H0;D3;+0:5]-[CH2;D2;+0:4]-[C@@H;D3;+0:3]-[N;H0;D3;+0:2]-[C@H;D3;+0:1]-1>>O=[CH;D2;+0:1].[NH;D2;+0:2]-[C@@H;D3;+0:3]-[CH2;D2;+0:4]-[c;H0;D3;+0:5]:[cH;D2;+0:6]:[nH;D2;+0:7] 81d3bf248b3770c09bba4d79710852f1e1c0af20ccf6f2481536b57654e56450 O=[CH:11][c:10]1[cH:9][cH:8][c:7](/[CH:6]=[CH:5]/[C:3]([O:2][CH3:1])=[O:4])[cH:26][cH:25]1.[NH2:12][C@H:13]([CH3:14])[CH2:15][c:16]1[cH:17][nH:18][c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]12>CC(=O)O>[CH3:1][O:2][C:3](=[O:4])/[CH:5]=[CH:6]/[c:7]1[cH:8][cH:9][c:10]([C@@H:11]2[NH:12][C@H:13]([CH3:14])[CH2:15][c:16]3[c:17]2[nH:18][c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]32)[cH:25][cH:26]1 KVXMLLMZXPRPNG-VOTSOKGWSA-N.QSQQQURBVYWZKJ-MRVPVSSYSA-N>>OGJPPELUWHAGOO-ORYVFASXSA-N 0.0 Unrecognized True substrate controlled False [nH;D2;+0:7]:[c;H0;D3;+0:6]1:[c;H0;D3;+0:5]-[CH2;D2;+0:4]-[C@H;D3;+0:3]-[NH;D2;+0:2]-[C@H;D3;+0:1]-1>>O=[CH;D2;+0:1].[NH2;D1;+0:2]-[C@H;D3;+0:3]-[CH2;D2;+0:4]-[c;H0;D3;+0:5]:[cH;D2;+0:6]:[nH;D2;+0:7] a09504bb4cd728df12a549a3c79bd02dc8c890127c8e2adcf85c5eec01e9da55 O=[CH:12][c:11]1[c:9]([F:10])[cH:8][c:7](/[CH:6]=[CH:5]/[C:3]([O:2][CH3:1])=[O:4])[cH:34][c:32]1[F:33].[cH:13]1[c:14]([CH2:15][C@@H:16]([CH3:17])[NH:18][CH2:19][C:20]([CH3:21])([F:22])[CH2:23][OH:24])[c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2[nH:31]1>CC(=O)O.Cc1ccccc1>[CH3:1][O:2][C:3](=[O:4])/[CH:5]=[CH:6]/[c:7]1[cH:8][c:9]([F:10])[c:11]([C@@H:12]2[c:13]3[c:14]([c:25]4[cH:26][cH:27][cH:28][cH:29][c:30]4[nH:31]3)[CH2:15][C@@H:16]([CH3:17])[N:18]2[CH2:19][C:20]([CH3:21])([F:22])[CH2:23][OH:24])[c:32]([F:33])[cH:34]1 GDGULTXZDPTNNZ-NSCUHMNNSA-N.LLBNXYIFLJLUEA-ZRKZCGFPSA-N>>SSQOQBIRCYAJOF-GPTGHKLOSA-N 0.0 Unrecognized True substrate controlled False [nH;D2;+0:7]:[c;H0;D3;+0:6]1:[c;H0;D3;+0:5]-[CH2;D2;+0:4]-[C@@H;D3;+0:3]-[N;H0;D3;+0:2]-[C@H;D3;+0:1]-1>>O=[CH;D2;+0:1].[NH;D2;+0:2]-[C@@H;D3;+0:3]-[CH2;D2;+0:4]-[c;H0;D3;+0:5]:[cH;D2;+0:6]:[nH;D2;+0:7] 81d3bf248b3770c09bba4d79710852f1e1c0af20ccf6f2481536b57654e56450 Br[c:6]1[cH:5][cH:4][cH:3][c:2]([F:1])[c:36]1[F:37].[C:7]12=[N:35][O:34][CH2:33][C@@H:32]1[C@@H:10]([CH2:11][O:12][C:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[O:9][CH2:8]2>C1CCOC1.C1CCOC1.CCCCCC.COC(C)(C)C.Cc1ccccc1.O.Cl.[Li]CCCC.N>[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]([C@:7]23[CH2:8][O:9][C@H:10]([CH2:11][O:12][C:13]([c:14]4[cH:15][cH:16][cH:17][cH:18][cH:19]4)([c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[C@H:32]2[CH2:33][O:34][NH:35]3)[c:36]1[F:37] DRNVWTGOMIDWIQ-LADGPHEKSA-N.RKWWASUTWAFKHA-UHFFFAOYSA-N>>NBYZAYREWQTQBQ-YQKLYGQBSA-N 0.0 Unrecognized False substrate controlled False [#8:4]-[NH;D2;+0:5]-[C@;H0;D4;+0:6](-[C:7])(-[C:8]-[#8:9])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].[#8:4]-[N;H0;D2;+0:5]=[C;H0;D3;+0:6](-[C:7])-[C:8]-[#8:9] 94aff8ccc3794f4bf8b9b6a5279f7ae21e910dfc697ba561a1651c976af2e705 I[CH3:1].[CH2:2]([CH2:3][CH2:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[C:12](=[O:13])[N:14]1[C:15](=[O:16])[O:17][CH2:18][C@@H:19]1[CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.O=S(=O)(O)O.[K+].[Li+]>[CH3:1][C@@H:2]([CH2:3][CH2:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[C:12](=[O:13])[N:14]1[C:15](=[O:16])[O:17][CH2:18][C@@H:19]1[CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1 INQOMBQAUSQDDS-UHFFFAOYSA-N.KEGIFRQLJWATJK-IBGZPJMESA-N>>OYMKITIHWXZECU-PXNSSMCTSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[C:6])-[CH3;D1;+0:1]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[C:6] 1abceb940cba10f04869aeff5bb4b0519820a1810b071eb0c21b4cc2df4255c1 [CH3:1][O:2][C:3](=[O:4])[C@H:5]1[CH2:6][CH2:7][C:8](=[O:9])[CH2:10][C@H:11]1[O:12][CH3:13]>CCOC(C)=O.CO.B.Cl.N.[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@H:5]1[CH2:6][CH2:7][C@@H:8]([OH:9])[CH2:10][C@H:11]1[O:12][CH3:13] FZTFAMFTBGDFGR-JGVFFNPUSA-N>>XSMUESFQQOBWBR-GJMOJQLCSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d CO[C@@:15]1([c:14]2[cH:13][cH:12][c:10]([Cl:11])[c:9]([CH2:8][c:7]3[cH:6][cH:5][c:4]([O:3][CH2:2][CH3:1])[cH:28][cH:27]3)[cH:26]2)[O:16][C@H:17]([CH2:18][OH:19])[C@@H:20]([OH:21])[C@H:22]([OH:23])[C@H:24]1[OH:25]>CC#N.CCOCC.CC[SiH](CC)CC.ClCCl.FB(F)F>[CH3:1][CH2:2][O:3][c:4]1[cH:5][cH:6][c:7]([CH2:8][c:9]2[c:10]([Cl:11])[cH:12][cH:13][c:14]([C@@H:15]3[O:16][C@H:17]([CH2:18][OH:19])[C@@H:20]([OH:21])[C@H:22]([OH:23])[C@H:24]3[OH:25])[cH:26]2)[cH:27][cH:28]1 GKTWLVVOULBRDU-BDHVOXNPSA-N>>JVHXJTBJCFBINQ-ADAARDCZSA-N 0.0 Unrecognized False stereospecific False [C:10]-[C:9]1-[#8:8]-[C@@H;D3;+0:1](-[c:2]2:[c:3]:[c:4]:[c:5]:[c:6]:[c:7]:2)-[C:13]-[C:12]-[C:11]-1>>C-O-[C@@;H0;D4;+0:1]1(-[c:2]2:[c:3]:[c:4]:[c:5]:[c:6]:[c:7]:2)-[#8:8]-[C:9](-[C:10])-[C:11]-[C:12]-[C:13]-1 2a7c42d1cdb79a099c55e2f47340ed7e862f9498141718be08d2b00d58340e48 [CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][C:12]([CH3:13])([CH3:14])[CH2:15][CH2:16]2)[c:17]1[C:18](=[O:19])[C:20](=[O:21])[O:22][CH:23]([CH3:24])[CH3:25]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][C:12]([CH3:13])([CH3:14])[CH2:15][CH2:16]2)[c:17]1[C@H:18]([OH:19])[C:20](=[O:21])[O:22][CH:23]([CH3:24])[CH3:25] GQVPOMJMLTVCLY-UHFFFAOYSA-N>>WMACHMLJRXLKEY-KRWDZBQOSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11] 515a198c53cf35074ef74ed9ac618b43d55f035b19807b3e2779b57be36551fd [CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][CH:12]([CH:13]3[CH2:14][CH2:15]3)[CH2:16]2)[c:17]1[C:18](=[O:19])[C:20](=[O:21])[O:22][CH:23]([CH3:24])[CH3:25]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][CH:12]([CH:13]3[CH2:14][CH2:15]3)[CH2:16]2)[c:17]1[C@H:18]([OH:19])[C:20](=[O:21])[O:22][CH:23]([CH3:24])[CH3:25] GPBYMRBRXKEJCO-UHFFFAOYSA-N>>HRNGHCVYNRLQEI-IBYPIGCZSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11] 515a198c53cf35074ef74ed9ac618b43d55f035b19807b3e2779b57be36551fd [CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][C:11]([F:12])([F:13])[CH2:14]2)[c:15]1[C:16](=[O:17])[C:18](=[O:19])[O:20][CH:21]([CH3:22])[CH3:23]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][C:11]([F:12])([F:13])[CH2:14]2)[c:15]1[C@H:16]([OH:17])[C:18](=[O:19])[O:20][CH:21]([CH3:22])[CH3:23] KVCLVQKWTFUPGQ-UHFFFAOYSA-N>>ZXXFXNPHFMRISV-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11] 515a198c53cf35074ef74ed9ac618b43d55f035b19807b3e2779b57be36551fd [CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][C:11]([CH3:12])([CH3:13])[CH2:14]2)[c:15]1[C:16](=[O:17])[C:18](=[O:19])[O:20][CH:21]([CH3:22])[CH3:23]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][C:11]([CH3:12])([CH3:13])[CH2:14]2)[c:15]1[C@H:16]([OH:17])[C:18](=[O:19])[O:20][CH:21]([CH3:22])[CH3:23] ZCNNPWDRUYFEOD-UHFFFAOYSA-N>>ASWZBOWYISQTNP-HNNXBMFYSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11] 515a198c53cf35074ef74ed9ac618b43d55f035b19807b3e2779b57be36551fd [CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH:11]([CH:12]([CH3:13])[CH3:14])[CH2:15]2)[c:16]1[C:17](=[O:18])[C:19](=[O:20])[O:21][CH:22]([CH3:23])[CH3:24]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH:11]([CH:12]([CH3:13])[CH3:14])[CH2:15]2)[c:16]1[C@H:17]([OH:18])[C:19](=[O:20])[O:21][CH:22]([CH3:23])[CH3:24] JBFRYPJNYVKIBM-UHFFFAOYSA-N>>SGUYGUCSFLEYKU-KRWDZBQOSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11] 515a198c53cf35074ef74ed9ac618b43d55f035b19807b3e2779b57be36551fd [CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][CH:12]([c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[CH2:19][CH2:20]2)[c:21]1[C:22](=[O:23])[C:24](=[O:25])[O:26][CH:27]([CH3:28])[CH3:29]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][CH:12]([c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[CH2:19][CH2:20]2)[c:21]1[C@H:22]([OH:23])[C:24](=[O:25])[O:26][CH:27]([CH3:28])[CH3:29] DNSXIUKFPKGZAF-UHFFFAOYSA-N>>QEIYZMDIKYOTEE-QFIPXVFZSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11] 515a198c53cf35074ef74ed9ac618b43d55f035b19807b3e2779b57be36551fd [CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][CH:12]([c:13]3[n:14][c:15]([CH:16]([CH3:17])[CH3:18])[n:19][o:20]3)[CH2:21][CH2:22]2)[c:23]1[C:24](=[O:25])[C:26](=[O:27])[O:28][CH:29]([CH3:30])[CH3:31]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][CH:12]([c:13]3[n:14][c:15]([CH:16]([CH3:17])[CH3:18])[n:19][o:20]3)[CH2:21][CH2:22]2)[c:23]1[C@H:24]([OH:25])[C:26](=[O:27])[O:28][CH:29]([CH3:30])[CH3:31] DUNUOFQZCVUKSV-UHFFFAOYSA-N>>FBOKLYQZSURENK-IBGZPJMESA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11] 515a198c53cf35074ef74ed9ac618b43d55f035b19807b3e2779b57be36551fd [CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][CH:12]([CH3:13])[CH2:14][CH2:15]2)[c:16]1[C:17](=[O:18])[C:19](=[O:20])[O:21][CH:22]([CH3:23])[CH3:24]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][CH:12]([CH3:13])[CH2:14][CH2:15]2)[c:16]1[C@H:17]([OH:18])[C:19](=[O:20])[O:21][CH:22]([CH3:23])[CH3:24] ICVPYFXOORFIGW-UHFFFAOYSA-N>>GOYVECOKAVECRE-KRWDZBQOSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11] 515a198c53cf35074ef74ed9ac618b43d55f035b19807b3e2779b57be36551fd [CH3:1][O:2][C:3]1([CH3:4])[CH2:5][CH2:6][N:7]([c:8]2[c:9]([C:10](=[O:11])[C:12](=[O:13])[O:14][CH:15]([CH3:16])[CH3:17])[c:18]([CH3:19])[n:20][c:21]([CH3:22])[c:23]2[Br:24])[CH2:25][CH2:26]1>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][O:2][C:3]1([CH3:4])[CH2:5][CH2:6][N:7]([c:8]2[c:9]([C@H:10]([OH:11])[C:12](=[O:13])[O:14][CH:15]([CH3:16])[CH3:17])[c:18]([CH3:19])[n:20][c:21]([CH3:22])[c:23]2[Br:24])[CH2:25][CH2:26]1 VBVLABKVGILJKH-UHFFFAOYSA-N>>YDWNFJZLIXDBLT-KRWDZBQOSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11] 515a198c53cf35074ef74ed9ac618b43d55f035b19807b3e2779b57be36551fd [CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][C:12]([CH3:13])([C:14]#[N:15])[CH2:16][CH2:17]2)[c:18]1[C:19](=[O:20])[C:21](=[O:22])[O:23][CH:24]([CH3:25])[CH3:26]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][C:12]([CH3:13])([C:14]#[N:15])[CH2:16][CH2:17]2)[c:18]1[C@H:19]([OH:20])[C:21](=[O:22])[O:23][CH:24]([CH3:25])[CH3:26] CKVKUIRWAXWUFD-UHFFFAOYSA-N>>DYMIVTBXXYCMEE-KRWDZBQOSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11] 515a198c53cf35074ef74ed9ac618b43d55f035b19807b3e2779b57be36551fd [CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][C:12](=[C:13]([CH3:14])[CH3:15])[CH2:16][CH2:17]2)[c:18]1[C:19](=[O:20])[C:21](=[O:22])[O:23][CH:24]([CH3:25])[CH3:26]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][C:12](=[C:13]([CH3:14])[CH3:15])[CH2:16][CH2:17]2)[c:18]1[C@H:19]([OH:20])[C:21](=[O:22])[O:23][CH:24]([CH3:25])[CH3:26] ZRJNKUQZPTUFMC-UHFFFAOYSA-N>>DLOWJQMVPHIVMI-IBGZPJMESA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11] 515a198c53cf35074ef74ed9ac618b43d55f035b19807b3e2779b57be36551fd [CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][CH:12]([CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[CH2:20][CH2:21]2)[c:22]1[C:23](=[O:24])[C:25](=[O:26])[O:27][CH:28]([CH3:29])[CH3:30]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][CH:12]([CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[CH2:20][CH2:21]2)[c:22]1[C@H:23]([OH:24])[C:25](=[O:26])[O:27][CH:28]([CH3:29])[CH3:30] WRJDJOABPVXXHS-UHFFFAOYSA-N>>UDNLAECVECDRFP-QHCPKHFHSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11] 515a198c53cf35074ef74ed9ac618b43d55f035b19807b3e2779b57be36551fd [CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][C:12]([CH3:13])([F:14])[CH2:15][CH2:16]2)[c:17]1[C:18](=[O:19])[C:20](=[O:21])[O:22][CH:23]([CH3:24])[CH3:25]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][C:12]([CH3:13])([F:14])[CH2:15][CH2:16]2)[c:17]1[C@H:18]([OH:19])[C:20](=[O:21])[O:22][CH:23]([CH3:24])[CH3:25] PKOCKBDQCXBXKJ-UHFFFAOYSA-N>>SFKUBICWBUTVII-INIZCTEOSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11] 515a198c53cf35074ef74ed9ac618b43d55f035b19807b3e2779b57be36551fd [CH3:1][c:2]1[n:3][n:4](-[c:5]2[c:6]([C:7](=[O:8])[C:9]([F:10])([F:11])[F:12])[cH:13][cH:14][c:15]([Br:16])[cH:17]2)[cH:18][cH:19]1>CC#N.C[Ir-4](C)(C)(C)(C)(Cl)C1C=CC=C1.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)cc1.O.O=CO.[K+]>[CH3:1][c:2]1[n:3][n:4](-[c:5]2[c:6]([C@@H:7]([OH:8])[C:9]([F:10])([F:11])[F:12])[cH:13][cH:14][c:15]([Br:16])[cH:17]2)[cH:18][cH:19]1 SGRVEXVUMRUENZ-UHFFFAOYSA-N>>CJTGGAILAKIYTP-LLVKDONJSA-N 0.0 Unrecognized False reagent controlled False [F;D1;H0:1]-[C:2](-[F;D1;H0:3])(-[F;D1;H0:4])-[C@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[F;D1;H0:1]-[C:2](-[F;D1;H0:3])(-[F;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] d17dd205cc19199172eaeb12b551d63836609b40f7a607c6224f17ce22e070da [CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[c:14]([C:15](=[O:16])[C:17]([F:18])([F:19])[F:20])[cH:21][cH:22]1>Cc1ccn(-c2cc(Br)ccc2[C@@H](O)C(F)(F)F)n1.[Ir]>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[c:14]([C@@H:15]([OH:16])[C:17]([F:18])([F:19])[F:20])[cH:21][cH:22]1 UJDIKLCIGWMIGB-UHFFFAOYSA-N>>FFQUPRSCSDBRTC-CQSZACIVSA-N 0.0 Unrecognized False reagent controlled False [F;D1;H0:1]-[C:2](-[F;D1;H0:3])(-[F;D1;H0:4])-[C@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[F;D1;H0:1]-[C:2](-[F;D1;H0:3])(-[F;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] d17dd205cc19199172eaeb12b551d63836609b40f7a607c6224f17ce22e070da [CH3:1][c:2]1[c:3]([C:4](=[O:5])[C:6]([F:7])([F:8])[F:9])[cH:10][cH:11][c:12]([Br:13])[cH:14]1>Cc1ccn(-c2cc(Br)ccc2[C@@H](O)C(F)(F)F)n1.[Ir]>[CH3:1][c:2]1[c:3]([C@@H:4]([OH:5])[C:6]([F:7])([F:8])[F:9])[cH:10][cH:11][c:12]([Br:13])[cH:14]1 DANIINALEOHAHB-UHFFFAOYSA-N>>GHJHUDRBFFIVGS-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled False [F;D1;H0:1]-[C:2](-[F;D1;H0:3])(-[F;D1;H0:4])-[C@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[F;D1;H0:1]-[C:2](-[F;D1;H0:3])(-[F;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] d17dd205cc19199172eaeb12b551d63836609b40f7a607c6224f17ce22e070da I[CH3:8].[CH3:1][O:2][C:3](=[O:4])[C@@H:5]1[CH2:6][CH2:7][C:9](=[O:10])[N:11]1[C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18]>C1CCOC1.CC(=O)O.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]1[CH2:6][C@@H:7]([CH3:8])[C:9](=[O:10])[N:11]1[C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18] FNTAOUUEQHKLIU-ZETCQYMHSA-N.INQOMBQAUSQDDS-UHFFFAOYSA-N>>YTLCHNBFNGFDSD-SFYZADRCSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[C:6])-[CH3;D1;+0:1]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[C:6] ca1f6858c2397350d90e61899db160ccc8e0bb6d6e21e9a85751a6d6be5df360 [CH2:12]([C:13](=[O:14])[N:15]1[C:16](=[O:17])[O:18][CH2:19][C@H:20]1[CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[CH:28]1[CH2:29][CH2:30]1.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C@@H:9]([CH:10]=[O:11])[CH2:31][O:32][C:33]1([CH3:34])[CH3:35]>CCN(C(C)C)C(C)C.ClCCl.Cl[Ti](Cl)(Cl)Cl>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C@@H:9]([C@H:10]([OH:11])[C@H:12]([C:13](=[O:14])[N:15]2[C:16](=[O:17])[O:18][CH2:19][C@H:20]2[CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[CH:28]2[CH2:29][CH2:30]2)[CH2:31][O:32][C:33]1([CH3:34])[CH3:35] PNJXYVJNOCLJLJ-QMMMGPOBSA-N.PVZVMZNRLNHTLL-CYBMUJFWSA-N>>HFPMBRDVHZTBBN-NCYKPQTJSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2](=[O;D1;H0:3])-[C@H;D3;+0:4](-[C:5])-[C@@H;D3;+0:8](-[OH;D1;+0:9])-[C:7]-[#7:6]>>[#7:1]-[C:2](=[O;D1;H0:3])-[CH2;D2;+0:4]-[C:5].[#7:6]-[C:7]-[CH;D2;+0:8]=[O;H0;D1;+0:9] 914d12ba24dca4595ca77f8c2b05bb8d212a2e2a634ca32d9948ca7340ab5e93 Br[CH2:4][c:5]1[cH:6][cH:7][c:8]([C:9]([F:10])([F:11])[F:12])[cH:13][cH:14]1.[CH3:1][CH2:2][CH2:3][C:15](=[O:16])[N:17]1[C:18](=[O:19])[O:20][CH2:21][C@@H:22]1[CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.Cl.[Na+]>[CH3:1][CH2:2][C@H:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([C:9]([F:10])([F:11])[F:12])[cH:13][cH:14]1)[C:15](=[O:16])[N:17]1[C:18](=[O:19])[O:20][CH2:21][C@@H:22]1[CH2:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1 HEJIYTVOUUVHRY-LBPRGKRZSA-N.IKSNDOVDVVPSMA-UHFFFAOYSA-N>>QNQVYSAQFHBLIY-MJGOQNOKSA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4](=[O;D1;H0:5])-[C@H;D3;+0:6](-[C:7])-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]-[C:4](=[O;D1;H0:5])-[CH2;D2;+0:6]-[C:7] f717a6f7d6abee5c7b03fb4673a3b91b5ec7e0735b8ea8d36594621e43988384 [CH3:1][c:2]1[c:3]([Br:4])[cH:5][cH:6][c:7]([C:8]([CH3:9])=[O:10])[cH:11]1>B.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CC(=O)O.CSC.ClCCl>[CH3:1][c:2]1[c:3]([Br:4])[cH:5][cH:6][c:7]([C@@H:8]([CH3:9])[OH:10])[cH:11]1 QRTFRIPKQPOIPI-UHFFFAOYSA-N>>PQAOTIKGTPSSAH-SSDOTTSWSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([Br:8])[cH:9][cH:10]1>CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CO.ClCCl.O>[CH3:1][C@@H:2]([OH:3])[c:4]1[cH:5][cH:6][c:7]([Br:8])[cH:9][cH:10]1 WYECURVXVYPVAT-UHFFFAOYSA-N>>XTDTYSBVMBQIBT-ZCFIWIBFSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][C:12]([CH3:13])([CH3:14])[CH2:15][CH2:16]2)[c:17]1[C:18](=[O:19])[C:20](=[O:21])[O:22][CH:23]([CH3:24])[CH3:25]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][C:12]([CH3:13])([CH3:14])[CH2:15][CH2:16]2)[c:17]1[C@H:18]([OH:19])[C:20](=[O:21])[O:22][CH:23]([CH3:24])[CH3:25] GQVPOMJMLTVCLY-UHFFFAOYSA-N>>WMACHMLJRXLKEY-KRWDZBQOSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11] 77b23d99291abad9557c5e95db0ae2c270aa1ea1c9fc83c07d05184da8303074 [CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][CH:12]([CH:13]3[CH2:14][CH2:15]3)[CH2:16]2)[c:17]1[C:18](=[O:19])[C:20](=[O:21])[O:22][CH:23]([CH3:24])[CH3:25]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][CH:12]([CH:13]3[CH2:14][CH2:15]3)[CH2:16]2)[c:17]1[C@H:18]([OH:19])[C:20](=[O:21])[O:22][CH:23]([CH3:24])[CH3:25] GPBYMRBRXKEJCO-UHFFFAOYSA-N>>HRNGHCVYNRLQEI-IBYPIGCZSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11] 77b23d99291abad9557c5e95db0ae2c270aa1ea1c9fc83c07d05184da8303074 [CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][C:11]([F:12])([F:13])[CH2:14]2)[c:15]1[C:16](=[O:17])[C:18](=[O:19])[O:20][CH:21]([CH3:22])[CH3:23]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][C:11]([F:12])([F:13])[CH2:14]2)[c:15]1[C@H:16]([OH:17])[C:18](=[O:19])[O:20][CH:21]([CH3:22])[CH3:23] KVCLVQKWTFUPGQ-UHFFFAOYSA-N>>ZXXFXNPHFMRISV-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11] 77b23d99291abad9557c5e95db0ae2c270aa1ea1c9fc83c07d05184da8303074 [CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][C:11]([CH3:12])([CH3:13])[CH2:14]2)[c:15]1[C:16](=[O:17])[C:18](=[O:19])[O:20][CH:21]([CH3:22])[CH3:23]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][C:11]([CH3:12])([CH3:13])[CH2:14]2)[c:15]1[C@H:16]([OH:17])[C:18](=[O:19])[O:20][CH:21]([CH3:22])[CH3:23] ZCNNPWDRUYFEOD-UHFFFAOYSA-N>>ASWZBOWYISQTNP-HNNXBMFYSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11] 77b23d99291abad9557c5e95db0ae2c270aa1ea1c9fc83c07d05184da8303074 [CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH:11]([CH:12]([CH3:13])[CH3:14])[CH2:15]2)[c:16]1[C:17](=[O:18])[C:19](=[O:20])[O:21][CH:22]([CH3:23])[CH3:24]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH:11]([CH:12]([CH3:13])[CH3:14])[CH2:15]2)[c:16]1[C@H:17]([OH:18])[C:19](=[O:20])[O:21][CH:22]([CH3:23])[CH3:24] JBFRYPJNYVKIBM-UHFFFAOYSA-N>>SGUYGUCSFLEYKU-KRWDZBQOSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11] 77b23d99291abad9557c5e95db0ae2c270aa1ea1c9fc83c07d05184da8303074 [CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][CH:12]([c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[CH2:19][CH2:20]2)[c:21]1[C:22](=[O:23])[C:24](=[O:25])[O:26][CH:27]([CH3:28])[CH3:29]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][CH:12]([c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[CH2:19][CH2:20]2)[c:21]1[C@H:22]([OH:23])[C:24](=[O:25])[O:26][CH:27]([CH3:28])[CH3:29] DNSXIUKFPKGZAF-UHFFFAOYSA-N>>QEIYZMDIKYOTEE-QFIPXVFZSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11] 77b23d99291abad9557c5e95db0ae2c270aa1ea1c9fc83c07d05184da8303074 [CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][CH:12]([c:13]3[n:14][c:15]([CH:16]([CH3:17])[CH3:18])[n:19][o:20]3)[CH2:21][CH2:22]2)[c:23]1[C:24](=[O:25])[C:26](=[O:27])[O:28][CH:29]([CH3:30])[CH3:31]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][CH:12]([c:13]3[n:14][c:15]([CH:16]([CH3:17])[CH3:18])[n:19][o:20]3)[CH2:21][CH2:22]2)[c:23]1[C@H:24]([OH:25])[C:26](=[O:27])[O:28][CH:29]([CH3:30])[CH3:31] DUNUOFQZCVUKSV-UHFFFAOYSA-N>>FBOKLYQZSURENK-IBGZPJMESA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11] 77b23d99291abad9557c5e95db0ae2c270aa1ea1c9fc83c07d05184da8303074 [CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][CH:12]([CH3:13])[CH2:14][CH2:15]2)[c:16]1[C:17](=[O:18])[C:19](=[O:20])[O:21][CH:22]([CH3:23])[CH3:24]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][CH:12]([CH3:13])[CH2:14][CH2:15]2)[c:16]1[C@H:17]([OH:18])[C:19](=[O:20])[O:21][CH:22]([CH3:23])[CH3:24] ICVPYFXOORFIGW-UHFFFAOYSA-N>>GOYVECOKAVECRE-KRWDZBQOSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11] 77b23d99291abad9557c5e95db0ae2c270aa1ea1c9fc83c07d05184da8303074 [CH3:1][O:2][C:3]1([CH3:4])[CH2:5][CH2:6][N:7]([c:8]2[c:9]([C:10](=[O:11])[C:12](=[O:13])[O:14][CH:15]([CH3:16])[CH3:17])[c:18]([CH3:19])[n:20][c:21]([CH3:22])[c:23]2[Br:24])[CH2:25][CH2:26]1>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][O:2][C:3]1([CH3:4])[CH2:5][CH2:6][N:7]([c:8]2[c:9]([C@H:10]([OH:11])[C:12](=[O:13])[O:14][CH:15]([CH3:16])[CH3:17])[c:18]([CH3:19])[n:20][c:21]([CH3:22])[c:23]2[Br:24])[CH2:25][CH2:26]1 VBVLABKVGILJKH-UHFFFAOYSA-N>>YDWNFJZLIXDBLT-KRWDZBQOSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11] 77b23d99291abad9557c5e95db0ae2c270aa1ea1c9fc83c07d05184da8303074 [CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][C:12]([CH3:13])([C:14]#[N:15])[CH2:16][CH2:17]2)[c:18]1[C:19](=[O:20])[C:21](=[O:22])[O:23][CH:24]([CH3:25])[CH3:26]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][C:12]([CH3:13])([C:14]#[N:15])[CH2:16][CH2:17]2)[c:18]1[C@H:19]([OH:20])[C:21](=[O:22])[O:23][CH:24]([CH3:25])[CH3:26] CKVKUIRWAXWUFD-UHFFFAOYSA-N>>DYMIVTBXXYCMEE-KRWDZBQOSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11] 77b23d99291abad9557c5e95db0ae2c270aa1ea1c9fc83c07d05184da8303074 [CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][C:12](=[C:13]([CH3:14])[CH3:15])[CH2:16][CH2:17]2)[c:18]1[C:19](=[O:20])[C:21](=[O:22])[O:23][CH:24]([CH3:25])[CH3:26]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][C:12](=[C:13]([CH3:14])[CH3:15])[CH2:16][CH2:17]2)[c:18]1[C@H:19]([OH:20])[C:21](=[O:22])[O:23][CH:24]([CH3:25])[CH3:26] ZRJNKUQZPTUFMC-UHFFFAOYSA-N>>DLOWJQMVPHIVMI-IBGZPJMESA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11] 77b23d99291abad9557c5e95db0ae2c270aa1ea1c9fc83c07d05184da8303074 [CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][CH:12]([CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[CH2:20][CH2:21]2)[c:22]1[C:23](=[O:24])[C:25](=[O:26])[O:27][CH:28]([CH3:29])[CH3:30]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][CH:12]([CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[CH2:20][CH2:21]2)[c:22]1[C@H:23]([OH:24])[C:25](=[O:26])[O:27][CH:28]([CH3:29])[CH3:30] WRJDJOABPVXXHS-UHFFFAOYSA-N>>UDNLAECVECDRFP-QHCPKHFHSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11] 77b23d99291abad9557c5e95db0ae2c270aa1ea1c9fc83c07d05184da8303074 [CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][C:12]([CH3:13])([F:14])[CH2:15][CH2:16]2)[c:17]1[C:18](=[O:19])[C:20](=[O:21])[O:22][CH:23]([CH3:24])[CH3:25]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][c:2]1[n:3][c:4]([CH3:5])[c:6]([Br:7])[c:8]([N:9]2[CH2:10][CH2:11][C:12]([CH3:13])([F:14])[CH2:15][CH2:16]2)[c:17]1[C@H:18]([OH:19])[C:20](=[O:21])[O:22][CH:23]([CH3:24])[CH3:25] PKOCKBDQCXBXKJ-UHFFFAOYSA-N>>SFKUBICWBUTVII-INIZCTEOSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C:9](-[C;D1;H3:10])-[C;D1;H3:11] 77b23d99291abad9557c5e95db0ae2c270aa1ea1c9fc83c07d05184da8303074 [CH3:1][c:2]1[n:3][n:4](-[c:5]2[c:6]([C:7](=[O:8])[C:9]([F:10])([F:11])[F:12])[cH:13][cH:14][c:15]([Br:16])[cH:17]2)[cH:18][cH:19]1>CC#N.C[Ir-4](C)(C)(C)(C)(Cl)C1C=CC=C1.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)cc1.O.O=CO.[K+]>[CH3:1][c:2]1[n:3][n:4](-[c:5]2[c:6]([C@@H:7]([OH:8])[C:9]([F:10])([F:11])[F:12])[cH:13][cH:14][c:15]([Br:16])[cH:17]2)[cH:18][cH:19]1 SGRVEXVUMRUENZ-UHFFFAOYSA-N>>CJTGGAILAKIYTP-LLVKDONJSA-N 0.0 Unrecognized False reagent controlled True [F;D1;H0:1]-[C:2](-[F;D1;H0:3])(-[F;D1;H0:4])-[C@@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[F;D1;H0:1]-[C:2](-[F;D1;H0:3])(-[F;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] e3115ac00e9946e99d57636218d37722602b399b987a1f74ce78220f89451d99 [CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[c:14]([C:15](=[O:16])[C:17]([F:18])([F:19])[F:20])[cH:21][cH:22]1>Cc1ccn(-c2cc(Br)ccc2[C@@H](O)C(F)(F)F)n1.[Ir]>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[c:14]([C@@H:15]([OH:16])[C:17]([F:18])([F:19])[F:20])[cH:21][cH:22]1 UJDIKLCIGWMIGB-UHFFFAOYSA-N>>FFQUPRSCSDBRTC-CQSZACIVSA-N 0.0 Unrecognized False reagent controlled True [F;D1;H0:1]-[C:2](-[F;D1;H0:3])(-[F;D1;H0:4])-[C@@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[F;D1;H0:1]-[C:2](-[F;D1;H0:3])(-[F;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] e3115ac00e9946e99d57636218d37722602b399b987a1f74ce78220f89451d99 [CH3:1][c:2]1[c:3]([C:4](=[O:5])[C:6]([F:7])([F:8])[F:9])[cH:10][cH:11][c:12]([Br:13])[cH:14]1>Cc1ccn(-c2cc(Br)ccc2[C@@H](O)C(F)(F)F)n1.[Ir]>[CH3:1][c:2]1[c:3]([C@@H:4]([OH:5])[C:6]([F:7])([F:8])[F:9])[cH:10][cH:11][c:12]([Br:13])[cH:14]1 DANIINALEOHAHB-UHFFFAOYSA-N>>GHJHUDRBFFIVGS-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled True [F;D1;H0:1]-[C:2](-[F;D1;H0:3])(-[F;D1;H0:4])-[C@@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[F;D1;H0:1]-[C:2](-[F;D1;H0:3])(-[F;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] e3115ac00e9946e99d57636218d37722602b399b987a1f74ce78220f89451d99 [CH3:1][c:2]1[c:3]([Br:4])[cH:5][cH:6][c:7]([C:8]([CH3:9])=[O:10])[cH:11]1>B.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CC(=O)O.CSC.ClCCl>[CH3:1][c:2]1[c:3]([Br:4])[cH:5][cH:6][c:7]([C@@H:8]([CH3:9])[OH:10])[cH:11]1 QRTFRIPKQPOIPI-UHFFFAOYSA-N>>PQAOTIKGTPSSAH-SSDOTTSWSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([Br:8])[cH:9][cH:10]1>CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CO.ClCCl.O>[CH3:1][C@@H:2]([OH:3])[c:4]1[cH:5][cH:6][c:7]([Br:8])[cH:9][cH:10]1 WYECURVXVYPVAT-UHFFFAOYSA-N>>XTDTYSBVMBQIBT-ZCFIWIBFSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c CCN(CC)S(F)(F)[F:20].O[C@H:19]1[C@H:11]([c:12]2[cH:13][cH:14][c:15]([OH:16])[cH:17][cH:18]2)[CH2:10][CH2:9][N:8]([C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:21]1>ClCCl>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C@@H:11]([c:12]2[cH:13][cH:14][c:15]([OH:16])[cH:17][cH:18]2)[C@H:19]([F:20])[CH2:21]1 AJASTZDEVUUDKP-UONOGXRCSA-N.CSJLBAMHHLJAAS-UHFFFAOYSA-N>>GSBRQFAQWICXFO-UONOGXRCSA-N 0.0 Unrecognized False stereospecific False [#7:5]-[C:4]-[C@H;D3;+0:2](-[C:3])-[F;H0;D1;+0:1]>>C-C-N(-C-C)-S(-F)(-F)-[F;H0;D1;+0:1].O-[C@@H;D3;+0:2](-[C:3])-[C:4]-[#7:5] 8278e9a7fdd41a4965b5eafc6f3126e268ec210381fb906431a75a7809f6056f CCN(CC)S(F)(F)[F:24].O[C@H:23]1[C@H:15]([c:16]2[cH:17][cH:18][c:19]([OH:20])[cH:21][cH:22]2)[CH2:14][CH2:13][N:12]([CH:11]2[CH2:10][CH2:9][N:8]([CH2:7][c:6]3[cH:5][c:3]([F:4])[c:2]([CH3:1])[cH:29][cH:28]3)[C:26]2=[O:27])[CH2:25]1>ClCCl>[CH3:1][c:2]1[c:3]([F:4])[cH:5][c:6]([CH2:7][N:8]2[CH2:9][CH2:10][CH:11]([N:12]3[CH2:13][CH2:14][C@@H:15]([c:16]4[cH:17][cH:18][c:19]([OH:20])[cH:21][cH:22]4)[C@H:23]([F:24])[CH2:25]3)[C:26]2=[O:27])[cH:28][cH:29]1 CSJLBAMHHLJAAS-UHFFFAOYSA-N.HWBZBWBNNJIYIP-KFEBLCFASA-N>>LAKBGWVRKNIOGO-BMHUVXDISA-N 0.0 Unrecognized False stereospecific False [#7:5]-[C:4]-[C@H;D3;+0:2](-[C:3])-[F;H0;D1;+0:1]>>C-C-N(-C-C)-S(-F)(-F)-[F;H0;D1;+0:1].O-[C@@H;D3;+0:2](-[C:3])-[C:4]-[#7:5] 8278e9a7fdd41a4965b5eafc6f3126e268ec210381fb906431a75a7809f6056f CCN(CC)S(F)(F)[F:24].O[C@@H:23]1[C@@H:15]([c:16]2[cH:17][cH:18][c:19]([OH:20])[cH:21][cH:22]2)[CH2:14][CH2:13][N:12]([CH:11]2[CH2:10][CH2:9][N:8]([CH2:7][c:6]3[cH:5][c:3]([F:4])[c:2]([CH3:1])[cH:29][cH:28]3)[C:26]2=[O:27])[CH2:25]1>ClCCl.O=C(O)O>[CH3:1][c:2]1[c:3]([F:4])[cH:5][c:6]([CH2:7][N:8]2[CH2:9][CH2:10][CH:11]([N:12]3[CH2:13][CH2:14][C@H:15]([c:16]4[cH:17][cH:18][c:19]([OH:20])[cH:21][cH:22]4)[C@@H:23]([F:24])[CH2:25]3)[C:26]2=[O:27])[cH:28][cH:29]1 CSJLBAMHHLJAAS-UHFFFAOYSA-N.HWBZBWBNNJIYIP-QOMKKIOMSA-N>>LAKBGWVRKNIOGO-DOYJUQJDSA-N 0.0 Unrecognized False stereospecific False [#7:5]-[C:4]-[C@@H;D3;+0:2](-[C:3])-[F;H0;D1;+0:1]>>C-C-N(-C-C)-S(-F)(-F)-[F;H0;D1;+0:1].O-[C@H;D3;+0:2](-[C:3])-[C:4]-[#7:5] 9701723be8c4c0dbd4b9460921051112454a6cb0634378050e9fed9ebd8b94cb CCN(CC)S(F)(F)[F:20].O[C@@H:19]1[C@@H:11]([c:12]2[cH:13][cH:14][c:15]([OH:16])[cH:17][cH:18]2)[CH2:10][CH2:9][N:8]([C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:21]1>CCOC(C)=O.ClCCl>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C@H:11]([c:12]2[cH:13][cH:14][c:15]([OH:16])[cH:17][cH:18]2)[C@@H:19]([F:20])[CH2:21]1 AJASTZDEVUUDKP-KGLIPLIRSA-N.CSJLBAMHHLJAAS-UHFFFAOYSA-N>>GSBRQFAQWICXFO-KGLIPLIRSA-N 0.0 Unrecognized False stereospecific False [#7:5]-[C:4]-[C@@H;D3;+0:2](-[C:3])-[F;H0;D1;+0:1]>>C-C-N(-C-C)-S(-F)(-F)-[F;H0;D1;+0:1].O-[C@H;D3;+0:2](-[C:3])-[C:4]-[#7:5] 9701723be8c4c0dbd4b9460921051112454a6cb0634378050e9fed9ebd8b94cb CCN(CC)S(F)(F)[F:21].O[C@H:20]1[C@H:11]([c:12]2[cH:13][c:14]([F:15])[c:16]([OH:17])[cH:18][cH:19]2)[CH2:10][CH2:9][N:8]([C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:22]1>ClCCl>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C@@H:11]([c:12]2[cH:13][c:14]([F:15])[c:16]([OH:17])[cH:18][cH:19]2)[C@H:20]([F:21])[CH2:22]1 CSJLBAMHHLJAAS-UHFFFAOYSA-N.VTZDXKXIJMUNPO-SMDDNHRTSA-N>>DAZBQWFDQDUBFK-WCQYABFASA-N 0.0 Unrecognized False stereospecific False [#7:5]-[C:4]-[C@H;D3;+0:2](-[C:3])-[F;H0;D1;+0:1]>>C-C-N(-C-C)-S(-F)(-F)-[F;H0;D1;+0:1].O-[C@@H;D3;+0:2](-[C:3])-[C:4]-[#7:5] 8278e9a7fdd41a4965b5eafc6f3126e268ec210381fb906431a75a7809f6056f [CH3:1][CH2:2][C:3](=[O:4])[NH:5][C:6]1=[C:17]([CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:16]2[c:9]([cH:10][cH:11][c:12]([O:13][CH3:14])[cH:15]2)[CH2:8][CH2:7]1>CO.CP[C@H](C)C1[CH][CH][CH]C1P(c1cccc2ccccc12)c1cccc2ccccc12.ClC1=CC=CCCCC1.[H][H].[Rh+]>[CH3:1][CH2:2][C:3](=[O:4])[NH:5][C@H:6]1[CH2:7][CH2:8][c:9]2[cH:10][cH:11][c:12]([O:13][CH3:14])[cH:15][c:16]2[C@H:17]1[CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1 XVQYHJDKIWMVMU-UHFFFAOYSA-N>>BLNAWDVNFOZHJK-UXHICEINSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[c:3])-[C@H;D3;+0:4](-[C:5])-[#7:6]-[C:7](-[C:8])=[O;D1;H0:9]>>[C:1]-[C;H0;D3;+0:2](-[c:3])=[C;H0;D3;+0:4](-[C:5])-[#7:6]-[C:7](-[C:8])=[O;D1;H0:9] b8fe9ac7d346b137732764ac4ac4c68c582834d7ada2b16f9664456cb59aef84 [CH3:1][CH2:2][C:3](=[O:4])[NH:5][C:6]1=[C:17]([CH2:18][c:19]2[cH:20][c:21]([Cl:22])[cH:23][cH:24][cH:25]2)[c:16]2[c:9]([cH:10][cH:11][c:12]([O:13][CH3:14])[cH:15]2)[CH2:8][CH2:7]1>CO.CP[C@H](C)C1[CH][CH][CH]C1P(c1cccc2ccccc12)c1cccc2ccccc12.ClC1=CC=CCCCC1.[H][H].[Rh+]>[CH3:1][CH2:2][C:3](=[O:4])[NH:5][C@H:6]1[CH2:7][CH2:8][c:9]2[cH:10][cH:11][c:12]([O:13][CH3:14])[cH:15][c:16]2[C@H:17]1[CH2:18][c:19]1[cH:20][c:21]([Cl:22])[cH:23][cH:24][cH:25]1 RCTWMQAGTVYAAX-UHFFFAOYSA-N>>MRVZGZMMWSGOQN-UXHICEINSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[c:3])-[C@H;D3;+0:4](-[C:5])-[#7:6]-[C:7](-[C:8])=[O;D1;H0:9]>>[C:1]-[C;H0;D3;+0:2](-[c:3])=[C;H0;D3;+0:4](-[C:5])-[#7:6]-[C:7](-[C:8])=[O;D1;H0:9] b8fe9ac7d346b137732764ac4ac4c68c582834d7ada2b16f9664456cb59aef84 [CH3:1][CH2:2][C:3](=[O:4])[NH:5][C:6]1=[C:17]([CH2:18][c:19]2[cH:20][c:21]([F:22])[cH:23][cH:24][cH:25]2)[c:16]2[c:9]([cH:10][cH:11][c:12]([O:13][CH3:14])[cH:15]2)[CH2:8][CH2:7]1>CO.CP[C@H](C)C1[CH][CH][CH]C1P(c1cccc2ccccc12)c1cccc2ccccc12.ClC1=CC=CCCCC1.[H][H].[Rh+]>[CH3:1][CH2:2][C:3](=[O:4])[NH:5][C@H:6]1[CH2:7][CH2:8][c:9]2[cH:10][cH:11][c:12]([O:13][CH3:14])[cH:15][c:16]2[C@H:17]1[CH2:18][c:19]1[cH:20][c:21]([F:22])[cH:23][cH:24][cH:25]1 DDPPPSKEPPIGJP-UHFFFAOYSA-N>>WTDOXBICPOMNSH-UXHICEINSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[c:3])-[C@H;D3;+0:4](-[C:5])-[#7:6]-[C:7](-[C:8])=[O;D1;H0:9]>>[C:1]-[C;H0;D3;+0:2](-[c:3])=[C;H0;D3;+0:4](-[C:5])-[#7:6]-[C:7](-[C:8])=[O;D1;H0:9] b8fe9ac7d346b137732764ac4ac4c68c582834d7ada2b16f9664456cb59aef84 [CH3:1][CH2:2][C:3](=[O:4])[NH:5][C:6]1=[C:16]([CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:15]2[c:9]([cH:10][cH:11][c:12]([Br:13])[cH:14]2)[CH2:8][CH2:7]1>CCO.CP[C@H](C)C1[CH][CH][CH]C1P(c1cccc2ccccc12)c1cccc2ccccc12.ClC1=CC=CCCCC1.[H][H].[Rh+]>[CH3:1][CH2:2][C:3](=[O:4])[NH:5][C@H:6]1[CH2:7][CH2:8][c:9]2[cH:10][cH:11][c:12]([Br:13])[cH:14][c:15]2[C@H:16]1[CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1 BHQCXCRUGRFCEJ-UHFFFAOYSA-N>>JLCKBJOARMIDQK-MOPGFXCFSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[c:3])-[C@H;D3;+0:4](-[C:5])-[#7:6]-[C:7](-[C:8])=[O;D1;H0:9]>>[C:1]-[C;H0;D3;+0:2](-[c:3])=[C;H0;D3;+0:4](-[C:5])-[#7:6]-[C:7](-[C:8])=[O;D1;H0:9] b8fe9ac7d346b137732764ac4ac4c68c582834d7ada2b16f9664456cb59aef84 [CH3:1][CH2:2][C:3](=[O:4])[NH:5][C:6]1=[C:18]([CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:17]2[c:9]([cH:10][c:11]([F:12])[c:13]([O:14][CH3:15])[cH:16]2)[CH2:8][CH2:7]1>CO.CP[C@H](C)C1[CH][CH][CH]C1P(c1cccc2ccccc12)c1cccc2ccccc12.ClC1=CC=CCCCC1.[H][H].[Rh+]>[CH3:1][CH2:2][C:3](=[O:4])[NH:5][C@H:6]1[CH2:7][CH2:8][c:9]2[cH:10][c:11]([F:12])[c:13]([O:14][CH3:15])[cH:16][c:17]2[C@H:18]1[CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1 YPPSGBDKSWWNHY-UHFFFAOYSA-N>>VOJBPCFFOSDQGT-MJGOQNOKSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[c:3])-[C@H;D3;+0:4](-[C:5])-[#7:6]-[C:7](-[C:8])=[O;D1;H0:9]>>[C:1]-[C;H0;D3;+0:2](-[c:3])=[C;H0;D3;+0:4](-[C:5])-[#7:6]-[C:7](-[C:8])=[O;D1;H0:9] b8fe9ac7d346b137732764ac4ac4c68c582834d7ada2b16f9664456cb59aef84 [CH3:1][C:2](=[O:3])[c:4]1[n:5][cH:6][c:7]([Br:8])[cH:9][cH:10]1>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CSC>[CH3:1][C@H:2]([OH:3])[c:4]1[n:5][cH:6][c:7]([Br:8])[cH:9][cH:10]1 IDZRAUUUHXQGKC-UHFFFAOYSA-N>>MFQDJRTUQSZLOZ-YFKPBYRVSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]-[C@H;D3;+0:3](-[C;D1;H3:4])-[OH;D1;+0:5]>>[#7;a:1]:[c:2]-[C;H0;D3;+0:3](-[C;D1;H3:4])=[O;H0;D1;+0:5] 439910f0ec84fc11a36d00d5e6a4edbc841ea487b63c909aa068c82b3ec914b0 [O:1]=[C:2]([CH2:3][Cl:4])[c:5]1[cH:6][c:7]([F:8])[c:9]([F:10])[cH:11][cH:12]1>B.CO.COB(OC)OC.CSC.Cc1ccccc1.OC[C@@]1(c2ccccc2)CCCN1c1ccccc1>[OH:1][C@H:2]([CH2:3][Cl:4])[c:5]1[cH:6][c:7]([F:8])[c:9]([F:10])[cH:11][cH:12]1 VMEDAWUIKFAFJQ-UHFFFAOYSA-N>>RYOLLNVCYSUXCP-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][CH2:2][C@@H:3]1[C@@H:4]2[CH2:5][C@H:6]([OH:7])[CH2:8][CH2:9][C@:10]2([CH3:11])[C@H:12]2[CH2:13][CH2:14][C@@:15]3([CH3:16])[C@@H:17]([CH2:18][CH2:19][C@@H:20]3[C@H:21]([CH3:22])[CH2:23][CH2:24][C:25](=[O:26])[OH:27])[C@@H:28]2[C:29]1=[O:30]>B.[Na+]>[CH3:1][CH2:2][C@@H:3]1[C@@H:4]2[CH2:5][C@H:6]([OH:7])[CH2:8][CH2:9][C@:10]2([CH3:11])[C@H:12]2[CH2:13][CH2:14][C@@:15]3([CH3:16])[C@@H:17]([CH2:18][CH2:19][C@@H:20]3[C@H:21]([CH3:22])[CH2:23][CH2:24][C:25](=[O:26])[OH:27])[C@@H:28]2[C@@H:29]1[OH:30] LHSZAKRHUYJKIU-CNFLPKCYSA-N>>ZXERDUOLZKYMJM-ZWECCWDJSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C:2](=[O:3])[c:4]1[n:5][cH:6][c:7]([Br:8])[cH:9][cH:10]1>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CSC>[CH3:1][C@H:2]([OH:3])[c:4]1[n:5][cH:6][c:7]([Br:8])[cH:9][cH:10]1 IDZRAUUUHXQGKC-UHFFFAOYSA-N>>MFQDJRTUQSZLOZ-YFKPBYRVSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]-[C@@H;D3;+0:3](-[C;D1;H3:4])-[OH;D1;+0:5]>>[#7;a:1]:[c:2]-[C;H0;D3;+0:3](-[C;D1;H3:4])=[O;H0;D1;+0:5] 4672cc10e7f17fd78b474dab59cad4434e7eecbb4579adc8c4c1468d077e6b1e [O:1]=[C:2]([CH2:3][Cl:4])[c:5]1[cH:6][c:7]([F:8])[c:9]([F:10])[cH:11][cH:12]1>B.CO.COB(OC)OC.CSC.Cc1ccccc1.OC[C@@]1(c2ccccc2)CCCN1c1ccccc1>[OH:1][C@H:2]([CH2:3][Cl:4])[c:5]1[cH:6][c:7]([F:8])[c:9]([F:10])[cH:11][cH:12]1 VMEDAWUIKFAFJQ-UHFFFAOYSA-N>>RYOLLNVCYSUXCP-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH:5](=[O:6])[c:7]1[cH:8][c:9]([O:10][CH2:11][CH2:12][CH2:13][O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:22][cH:23][cH:24]1.[O:1]=[N+:2]([O-:3])[CH3:4]>CC(=O)O.CC(=O)O.CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NCCN[C@@H]1C[C@H]3CC[C@]1(C)C3(C)C)C2.CCN(C(C)C)C(C)C.CCO.COC(C)(C)C.Cl.O.[Cu+2]>[O:1]=[N+:2]([O-:3])[CH2:4][C@@H:5]([OH:6])[c:7]1[cH:8][c:9]([O:10][CH2:11][CH2:12][CH2:13][O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:22][cH:23][cH:24]1 GYELJXUKGFAHSI-UHFFFAOYSA-N.LYGJENNIWJXYER-UHFFFAOYSA-N>>FPJDYKLJHXRMJX-GOSISDBHSA-N 0.0 Unrecognized False reagent controlled False [#7;+:1]-[CH2;D2;+0:2]-[C@@H;D3;+0:4](-[OH;D1;+0:3])-[c:5]>>[#7;+:1]-[CH3;D1;+0:2].[O;H0;D1;+0:3]=[CH;D2;+0:4]-[c:5] a9a6fac6772d1ac80cd92d4469356a334091651633d75de81d148530e63c47b5 O[C@@H:10]([CH2:9][NH:8][C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[c:11]1[cH:12][c:13]([Cl:14])[cH:15][cH:16][cH:17]1.[NH:18]1[C:19](=[O:20])[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2[C:27]1=[O:28]>C1CCOC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH2:9][C@H:10]([c:11]1[cH:12][c:13]([Cl:14])[cH:15][cH:16][cH:17]1)[N:18]1[C:19](=[O:20])[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2[C:27]1=[O:28] KXSZUHZMIFRFRW-NSHDSACASA-N.XKJCHHZQLQNZHY-UHFFFAOYSA-N>>ZGTSNCPZXUKFIO-QGZVFWFLSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[N;H0;D3;+0:6]1-[C:5](=[O;D1;H0:4])-[c:14]2:[c:13]:[c:12]:[c:11]:[c:10]:[c:9]:2-[C:7]-1=[O;D1;H0:8]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[O;D1;H0:4]=[C:5]1-[NH;D2;+0:6]-[C:7](=[O;D1;H0:8])-[c:9]2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2-1 4c34d98b10e2b60347a263308cdfd53e3e6e897528575269baa8c219f88f38b9 CS(=O)(=O)O[C@H:3]1[CH2:4][CH2:5][CH2:6][C@@H:7]([c:8]2[cH:9][n:10][c:11]([NH:12][C:13](=[O:14])[C:15]([CH3:16])([CH3:17])[CH3:18])[c:19](-[c:20]3[cH:21][c:22]([F:23])[c:24]([C:25](=[O:26])[NH:27][CH2:28][c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[cH:35][cH:36]3)[n:37]2)[CH2:38]1.[CH3:1][SH:2]>CO.[Na+]>[CH3:1][S:2][C@@H:3]1[CH2:4][CH2:5][CH2:6][C@@H:7]([c:8]2[cH:9][n:10][c:11]([NH:12][C:13](=[O:14])[C:15]([CH3:16])([CH3:17])[CH3:18])[c:19](-[c:20]3[cH:21][c:22]([F:23])[c:24]([C:25](=[O:26])[NH:27][CH2:28][c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)[cH:35][cH:36]3)[n:37]2)[CH2:38]1 GKDBCXMBCYUZLP-IRLDBZIGSA-N.LSDPWZHWYPCBBB-UHFFFAOYSA-N>>DCTFRMQFYARDBC-IFMALSPDSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C:3])-[S;H0;D2;+0:5]-[C;D1;H3:4]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3].[C;D1;H3:4]-[SH;D1;+0:5] bfc630981e2cf52fc744cd95e9bfb5f64893c36f393b013cad8bbc86c27aaef4 O[C@@H:4]([CH2:3][N:2]([CH3:1])[C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[c:5]1[cH:6][c:7]([Cl:8])[cH:9][cH:10][cH:11]1.[NH:12]1[C:13](=[O:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[C:21]1=[O:22]>C1CCOC1.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][N:2]([CH2:3][C@H:4]([c:5]1[cH:6][c:7]([Cl:8])[cH:9][cH:10][cH:11]1)[N:12]1[C:13](=[O:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]2[C:21]1=[O:22])[C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29] GYVHRVYGCOVVCL-LBPRGKRZSA-N.XKJCHHZQLQNZHY-UHFFFAOYSA-N>>DOBATEJQVYWJTJ-GOSISDBHSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[N;H0;D3;+0:6]1-[C:5](=[O;D1;H0:4])-[c:14]2:[c:13]:[c:12]:[c:11]:[c:10]:[c:9]:2-[C:7]-1=[O;D1;H0:8]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[O;D1;H0:4]=[C:5]1-[NH;D2;+0:6]-[C:7](=[O;D1;H0:8])-[c:9]2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2-1 4c34d98b10e2b60347a263308cdfd53e3e6e897528575269baa8c219f88f38b9 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9]([F:10])[cH:11][c:12](-[c:13]2[n:14][c:15]([C@@H:16]3[CH2:17][CH2:18][C:19](=[O:20])[C@@H:21]([F:22])[CH2:23]3)[cH:24][n:25][c:26]2[NH2:27])[cH:28][cH:29]1>CO.B.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9]([F:10])[cH:11][c:12](-[c:13]2[n:14][c:15]([C@@H:16]3[CH2:17][CH2:18][C@@H:19]([OH:20])[C@@H:21]([F:22])[CH2:23]3)[cH:24][n:25][c:26]2[NH2:27])[cH:28][cH:29]1 SCWVPDYJLKMRMN-ABAIWWIYSA-N>>XUBUUVKBNQNBMM-XQAQDONZSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d Br[CH2:6][CH:7]=[C:8]([CH3:9])[CH3:10].[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@H:11]([CH3:12])[OH:13]>C1CCOC1.CC(C)=O.CC(C)NC(C)C.CC(C)NC(C)C.COCCOC.O=C=O.[Li+].[Li]CCCC>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([CH2:6][CH:7]=[C:8]([CH3:9])[CH3:10])[C@H:11]([CH3:12])[OH:13] LDLDJEAVRNAEBW-BYPYZUCNSA-N.LOYZVRIHVZEDMW-UHFFFAOYSA-N>>ZCLKXRBXJPGGLD-IUCAKERBSA-N 0.0 Unrecognized False substrate controlled False [C:4]-[C@H;D3;+0:5](-[CH2;D2;+0:1]-[C:2]=[C:3])-[C:6](=[O;D1;H0:7])-[#8:8]-[C;D1;H3:9]>>Br-[CH2;D2;+0:1]-[C:2]=[C:3].[C:4]-[CH2;D2;+0:5]-[C:6](=[O;D1;H0:7])-[#8:8]-[C;D1;H3:9] 90f67f4b4b3f76193e0fcc1c17d31ae70c1194f3def763fb3dc851171b09a9e2 Br[c:6]1[n:5]([CH2:4][C:3]#[C:2][CH3:1])[c:23]2[c:22]([n:21]1)[n:40]([CH3:41])[c:38](=[O:39])[n:26]([CH2:27][c:28]1[n:29][c:30]3[c:31]([cH:32][cH:33][c:34]([F:35])[cH:36]3)[s:37]1)[c:24]2=[O:25].[N:7]1([NH2:20])[CH2:8][CH2:9][CH2:10][C@@H:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:19]1>CN(C)C=O.O.O=C(O)O.[K+].[K+]>[CH3:1][C:2]#[C:3][CH2:4][n:5]1[c:6]([N:7]2[CH2:8][CH2:9][CH2:10][CH:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[C@@H:19]2[NH2:20])[n:21][c:22]2[c:23]1[c:24](=[O:25])[n:26]([CH2:27][c:28]1[n:29][c:30]3[c:31]([cH:32][cH:33][c:34]([F:35])[cH:36]3)[s:37]1)[c:38](=[O:39])[n:40]2[CH3:41] BXHWWPNRUOHACS-MRVPVSSYSA-N.KRBCIDXKAMRRJN-UHFFFAOYSA-N>>JMVXQUDOIGREQQ-IVAFLUGOSA-N 0.0 Unrecognized False substrate controlled False [#7;a:2]:[c;H0;D3;+0:1](:[#7;a:3])-[N;H0;D3;+0:7](-[C:8])-[C@@H;D3;+0:6](-[NH2;D1;+0:9])-[CH;D3;+0:5](-[C:4])-[C:10](=[O;D1;H0:11])-[#8:12]-[C:13](-[C;D1;H3:14])(-[C;D1;H3:15])-[C;D1;H3:16]>>Br-[c;H0;D3;+0:1](:[#7;a:2]):[#7;a:3].[C:4]-[C@H;D3;+0:5](-[CH2;D2;+0:6]-[N;H0;D3;+0:7](-[C:8])-[NH2;D1;+0:9])-[C:10](=[O;D1;H0:11])-[#8:12]-[C:13](-[C;D1;H3:14])(-[C;D1;H3:15])-[C;D1;H3:16] 9dae85bf3f3d57d9441d0c878a11695e40de5afe3d4783bb2daab9038896a656 Br[c:6]1[n:5]([CH2:4][C:3]#[C:2][CH3:1])[c:23]2[c:22]([n:21]1)[n:39]([CH3:40])[c:37](=[O:38])[n:26]([CH2:27][c:28]1[n:29][c:30]3[c:31]([cH:32][cH:33][cH:34][cH:35]3)[s:36]1)[c:24]2=[O:25].[N:7]1([NH2:20])[CH2:8][CH2:9][CH2:10][C@@H:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:19]1>CN(C)C=O.O.O=C(O)O.[K+].[K+]>[CH3:1][C:2]#[C:3][CH2:4][n:5]1[c:6]([N:7]2[CH2:8][CH2:9][CH2:10][CH:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[C@@H:19]2[NH2:20])[n:21][c:22]2[c:23]1[c:24](=[O:25])[n:26]([CH2:27][c:28]1[n:29][c:30]3[c:31]([cH:32][cH:33][cH:34][cH:35]3)[s:36]1)[c:37](=[O:38])[n:39]2[CH3:40] BXHWWPNRUOHACS-MRVPVSSYSA-N.USQVTWSYJUJNNH-UHFFFAOYSA-N>>FZNANXOZFOIHQL-IVAFLUGOSA-N 0.0 Unrecognized False substrate controlled False [#7;a:2]:[c;H0;D3;+0:1](:[#7;a:3])-[N;H0;D3;+0:7](-[C:8])-[C@@H;D3;+0:6](-[NH2;D1;+0:9])-[CH;D3;+0:5](-[C:4])-[C:10](=[O;D1;H0:11])-[#8:12]-[C:13](-[C;D1;H3:14])(-[C;D1;H3:15])-[C;D1;H3:16]>>Br-[c;H0;D3;+0:1](:[#7;a:2]):[#7;a:3].[C:4]-[C@H;D3;+0:5](-[CH2;D2;+0:6]-[N;H0;D3;+0:7](-[C:8])-[NH2;D1;+0:9])-[C:10](=[O;D1;H0:11])-[#8:12]-[C:13](-[C;D1;H3:14])(-[C;D1;H3:15])-[C;D1;H3:16] 9dae85bf3f3d57d9441d0c878a11695e40de5afe3d4783bb2daab9038896a656 Br[c:6]1[n:5]([CH2:4][C:3]#[C:2][CH3:1])[c:23]2[c:22]([n:21]1)[n:40]([CH3:41])[c:38](=[O:39])[n:26]([CH2:27][c:28]1[n:29][c:30]3[c:31]([cH:32][cH:33][c:34]([Cl:35])[cH:36]3)[s:37]1)[c:24]2=[O:25].[N:7]1([NH2:20])[CH2:8][CH2:9][CH2:10][C@@H:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:19]1>CN(C)C=O.O.O=C(O)O.[K+].[K+]>[CH3:1][C:2]#[C:3][CH2:4][n:5]1[c:6]([N:7]2[CH2:8][CH2:9][CH2:10][CH:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[C@@H:19]2[NH2:20])[n:21][c:22]2[c:23]1[c:24](=[O:25])[n:26]([CH2:27][c:28]1[n:29][c:30]3[c:31]([cH:32][cH:33][c:34]([Cl:35])[cH:36]3)[s:37]1)[c:38](=[O:39])[n:40]2[CH3:41] BXHWWPNRUOHACS-MRVPVSSYSA-N.OQUMKAOZFXUCAT-UHFFFAOYSA-N>>FNQIFBLMHSOILB-IVAFLUGOSA-N 0.0 Unrecognized False substrate controlled False [#7;a:2]:[c;H0;D3;+0:1](:[#7;a:3])-[N;H0;D3;+0:7](-[C:8])-[C@@H;D3;+0:6](-[NH2;D1;+0:9])-[CH;D3;+0:5](-[C:4])-[C:10](=[O;D1;H0:11])-[#8:12]-[C:13](-[C;D1;H3:14])(-[C;D1;H3:15])-[C;D1;H3:16]>>Br-[c;H0;D3;+0:1](:[#7;a:2]):[#7;a:3].[C:4]-[C@H;D3;+0:5](-[CH2;D2;+0:6]-[N;H0;D3;+0:7](-[C:8])-[NH2;D1;+0:9])-[C:10](=[O;D1;H0:11])-[#8:12]-[C:13](-[C;D1;H3:14])(-[C;D1;H3:15])-[C;D1;H3:16] 9dae85bf3f3d57d9441d0c878a11695e40de5afe3d4783bb2daab9038896a656 O[C@@H:27]([CH3:28])[c:29]1[cH:30][c:31]([Br:32])[cH:33][cH:34][cH:35]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[c:8]([CH2:9][N:10]([c:11]2[n:12][cH:13][n:14][s:15]2)[S:16](=[O:17])(=[O:18])[c:19]2[cH:20][c:21]3[c:22]([cH:23][c:24]2[F:25])[nH:26][c:36](=[O:37])[o:38]3)[cH:39][cH:40]1>C1CCOC1.CCOC(=O)/N=N/C(=O)OCC.CCOC(C)=O.O=C(O)O.[Na+].c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[c:8]([CH2:9][N:10]([c:11]2[n:12][cH:13][n:14][s:15]2)[S:16](=[O:17])(=[O:18])[c:19]2[cH:20][c:21]3[c:22]([cH:23][c:24]2[F:25])[n:26]([C@H:27]([CH3:28])[c:29]2[cH:30][c:31]([Br:32])[cH:33][cH:34][cH:35]2)[c:36](=[O:37])[o:38]3)[cH:39][cH:40]1 ULMJQMDYAOJNCC-LURJTMIESA-N.VTUXBOZYNRVQBL-UHFFFAOYSA-N>>GCSYLRLLFJHDFY-OAHLLOKOSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[c:3])-[n;H0;D3;+0:7]1:[c:6]:[c:5]:[#8;a:4]:[c:8]:1>>O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3].[#8;a:4]1:[c:5]:[c:6]:[nH;D2;+0:7]:[c:8]:1 14186e11c3561822f8a5da23e794db6cc14df8208eb9d740a30d1b0dc0ab30bb [CH:5](=[O:6])[c:7]1[cH:8][c:9]([O:10][CH2:11][CH2:12][CH2:13][O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:22][cH:23][cH:24]1.[O:1]=[N+:2]([O-:3])[CH3:4]>CC(=O)O.CC(=O)O.CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NCCN[C@@H]1C[C@H]3CC[C@]1(C)C3(C)C)C2.CCN(C(C)C)C(C)C.CCO.COC(C)(C)C.Cl.O.[Cu+2]>[O:1]=[N+:2]([O-:3])[CH2:4][C@@H:5]([OH:6])[c:7]1[cH:8][c:9]([O:10][CH2:11][CH2:12][CH2:13][O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:22][cH:23][cH:24]1 GYELJXUKGFAHSI-UHFFFAOYSA-N.LYGJENNIWJXYER-UHFFFAOYSA-N>>FPJDYKLJHXRMJX-GOSISDBHSA-N 0.0 Unrecognized False reagent controlled True [#7;+:1]-[CH2;D2;+0:2]-[C@H;D3;+0:4](-[OH;D1;+0:3])-[c:5]>>[#7;+:1]-[CH3;D1;+0:2].[O;H0;D1;+0:3]=[CH;D2;+0:4]-[c:5] 359183d350fb7dc250b7278bde8b4bd20742541967ba58f422e8b0dcee5d8b73 O[C@@H:27]([CH3:28])[c:29]1[c:30]([I:31])[cH:32][cH:33][cH:34][cH:35]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[c:8]([CH2:9][N:10]([c:11]2[n:12][cH:13][n:14][s:15]2)[S:16](=[O:17])(=[O:18])[c:19]2[cH:20][c:21]3[c:22]([cH:23][c:24]2[F:25])[nH:26][c:36](=[O:37])[o:38]3)[cH:39][cH:40]1>C1CCOC1.CCCCP(CCCC)CCCC.CCOC(=O)/N=N/C(=O)OCC>[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[c:8]([CH2:9][N:10]([c:11]2[n:12][cH:13][n:14][s:15]2)[S:16](=[O:17])(=[O:18])[c:19]2[cH:20][c:21]3[c:22]([cH:23][c:24]2[F:25])[n:26]([C@H:27]([CH3:28])[c:29]2[c:30]([I:31])[cH:32][cH:33][cH:34][cH:35]2)[c:36](=[O:37])[o:38]3)[cH:39][cH:40]1 CAHJBZUREGQOFC-LURJTMIESA-N.VTUXBOZYNRVQBL-UHFFFAOYSA-N>>BGTJBDALIUTNSZ-OAHLLOKOSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[c:3])-[n;H0;D3;+0:7]1:[c:6]:[c:5]:[#8;a:4]:[c:8]:1>>O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3].[#8;a:4]1:[c:5]:[c:6]:[nH;D2;+0:7]:[c:8]:1 14186e11c3561822f8a5da23e794db6cc14df8208eb9d740a30d1b0dc0ab30bb O[C@@H:26]([CH2:27][CH2:28][OH:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[c:8]([CH2:9][N:10]([c:11]2[n:12][cH:13][n:14][s:15]2)[S:16](=[O:17])(=[O:18])[c:19]2[cH:20][c:21]3[c:22]([cH:23][cH:24]2)[nH:25][c:36](=[O:37])[o:38]3)[cH:39][cH:40]1>C1CCOC1.CCOC(=O)/N=N/C(=O)OCC.CCOC(C)=O.O=C(O)O.[Na+].c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[c:8]([CH2:9][N:10]([c:11]2[n:12][cH:13][n:14][s:15]2)[S:16](=[O:17])(=[O:18])[c:19]2[cH:20][c:21]3[c:22]([cH:23][cH:24]2)[n:25]([C@H:26]([CH2:27][CH2:28][OH:29])[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36](=[O:37])[o:38]3)[cH:39][cH:40]1 DJYNRWQYLQGBMZ-UHFFFAOYSA-N.RRVFYOSEKOTFOG-VIFPVBQESA-N>>HDGOEQLRHJPCDP-JOCHJYFZSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[n;H0;D3;+0:7]1:[c:6]:[c:5]:[#8;a:4]:[c:8]:1>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[#8;a:4]1:[c:5]:[c:6]:[nH;D2;+0:7]:[c:8]:1 14186e11c3561822f8a5da23e794db6cc14df8208eb9d740a30d1b0dc0ab30bb [CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[n:7][n:8]2[c:9]([cH:10]1)[n:11][c:12]([CH3:13])[c:14]([C:15](=[O:16])[C:17](=[O:18])[O:19][CH2:20][CH3:21])[c:22]2[Cl:23]>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[n:7][n:8]2[c:9]([cH:10]1)[n:11][c:12]([CH3:13])[c:14]([C@H:15]([OH:16])[C:17](=[O:18])[O:19][CH2:20][CH3:21])[c:22]2[Cl:23] BEMRNFYGLKVWRG-UHFFFAOYSA-N>>JCFDHLKYGQSXIP-NSHDSACASA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C:11]-[C;D1;H3:12]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C:11]-[C;D1;H3:12] 5276d962db1f404e9b6cf2e27c0a83f30b8e4593b0e9bbfb2995d4c68307c42c [CH3:1][C:2](=[O:3])[CH2:4][CH2:5][CH2:6][CH2:7][O:8][C:9]1([CH3:10])[CH2:11][CH2:12][N:13]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:21][CH2:22]1>CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][C@@H:2]([OH:3])[CH2:4][CH2:5][CH2:6][CH2:7][O:8][C:9]1([CH3:10])[CH2:11][CH2:12][N:13]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:21][CH2:22]1 RBRONOGVLPYJNH-UHFFFAOYSA-N>>OEIZYWPVXWKMKK-CQSZACIVSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[C;D1;H3:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6](=[O:7])[c:8]1[c:9]([O:10][S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])[c:18]2[cH:19][cH:20][c:21]([CH3:22])[cH:23][c:24]2[cH:25][c:26]1[CH3:27]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]([OH:7])[c:8]1[c:9]([O:10][S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])[c:18]2[cH:19][cH:20][c:21]([CH3:22])[cH:23][c:24]2[cH:25][c:26]1[CH3:27] MOCCWYGRZQILIX-UHFFFAOYSA-N>>VIDTTXYLBOTREN-AWEZNQCLSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[c:8]>>[C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[c:8] 305564733bfba6f118f7f22ba309c872ed751bdb32e902b4bca723ff76b4a2e0 [CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6](=[O:7])[c:8]1[c:9]([O:10][S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])[c:18]2[cH:19][cH:20][c:21]([Br:22])[cH:23][c:24]2[cH:25][c:26]1[CH3:27]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]([OH:7])[c:8]1[c:9]([O:10][S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])[c:18]2[cH:19][cH:20][c:21]([Br:22])[cH:23][c:24]2[cH:25][c:26]1[CH3:27] RYNDRWZBBFJRKI-UHFFFAOYSA-N>>JWFBXQWHYSEMMB-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[c:8]>>[C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[c:8] 305564733bfba6f118f7f22ba309c872ed751bdb32e902b4bca723ff76b4a2e0 Br[Mg][CH3:14].[CH3:1][C@@H:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[C@@H:9]1[CH2:10][C@:11]1([CH3:12])[CH:13]=[O:15]>O=S(=O)(O)O>[CH3:1][C@@H:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[C@@H:9]1[CH2:10][C@:11]1([CH3:12])[C@@H:13]([CH3:14])[OH:15] AVFUHBJCUUTGCD-UHFFFAOYSA-M.CFCUCGRZZZWNOA-WCFLWFBJSA-N>>GOVFHSJWKJPKRE-UZGDPCLZSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:3](-[CH3;D1;+0:1])-[OH;D1;+0:4]>>Br-[Mg]-[CH3;D1;+0:1].[C:2]-[CH;D2;+0:3]=[O;H0;D1;+0:4] 99aac8a0630883d0a1a9bce0d5fae7f6a9e888d034cce99712544a53187b1371 I[CH3:6].[CH3:1][O:2][c:3]1[c:4]([CH2:5][C:7](=[O:8])[N:9]2[C:10](=[O:11])[O:12][CH2:13][C@@H:14]2[CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:22][cH:23][cH:24][cH:25]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[CH3:1][O:2][c:3]1[c:4]([C@H:5]([CH3:6])[C:7](=[O:8])[N:9]2[C:10](=[O:11])[O:12][CH2:13][C@@H:14]2[CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:22][cH:23][cH:24][cH:25]1 INQOMBQAUSQDDS-UHFFFAOYSA-N.MLRAPSIUNMMTNZ-INIZCTEOSA-N>>QBGAWEVYQVZOAO-HOCLYGCPSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[CH3;D1;+0:1])-[c:6]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[c:6] 392eb33aa7db2786e7965885f1d27e0768cd68e2a2f31bb6600bca5f4293b06f [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@:9]1([C:10](=[O:11])[O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:20][C:21](=[O:22])[C@@H:23]2[C@H:24]1[C@H:25]2[C:26](=[O:27])[O:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.[Li+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@:9]1([C:10](=[O:11])[O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:20][C@H:21]([OH:22])[C@@H:23]2[C@H:24]1[C@H:25]2[C:26](=[O:27])[O:28][CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1 CWNFHYFVLDRCQJ-LFYAFONDSA-N>>BHQPJQCJAWUQDE-NOVLSDETSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[n:7][n:8]2[c:9]([cH:10]1)[n:11][c:12]([CH3:13])[c:14]([C:15](=[O:16])[C:17](=[O:18])[O:19][CH2:20][CH3:21])[c:22]2[Cl:23]>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[n:7][n:8]2[c:9]([cH:10]1)[n:11][c:12]([CH3:13])[c:14]([C@H:15]([OH:16])[C:17](=[O:18])[O:19][CH2:20][CH3:21])[c:22]2[Cl:23] BEMRNFYGLKVWRG-UHFFFAOYSA-N>>JCFDHLKYGQSXIP-NSHDSACASA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C@@H;D3;+0:6](-[OH;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C:11]-[C;D1;H3:12]>>[#7;a:1]:[c:2]:[c:3](:[c:4]:[#7;a:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[C:8](=[O;D1;H0:9])-[#8:10]-[C:11]-[C;D1;H3:12] de0e028e524c2ca0f7aedabf56740fdcf42a4b975c66c747c9b7edb7336ba9d5 [CH3:1][C:2](=[O:3])[CH2:4][CH2:5][CH2:6][CH2:7][O:8][C:9]1([CH3:10])[CH2:11][CH2:12][N:13]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:21][CH2:22]1>CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][C@@H:2]([OH:3])[CH2:4][CH2:5][CH2:6][CH2:7][O:8][C:9]1([CH3:10])[CH2:11][CH2:12][N:13]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:21][CH2:22]1 RBRONOGVLPYJNH-UHFFFAOYSA-N>>OEIZYWPVXWKMKK-CQSZACIVSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[C;D1;H3:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6](=[O:7])[c:8]1[c:9]([O:10][S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])[c:18]2[cH:19][cH:20][c:21]([CH3:22])[cH:23][c:24]2[cH:25][c:26]1[CH3:27]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]([OH:7])[c:8]1[c:9]([O:10][S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])[c:18]2[cH:19][cH:20][c:21]([CH3:22])[cH:23][c:24]2[cH:25][c:26]1[CH3:27] MOCCWYGRZQILIX-UHFFFAOYSA-N>>VIDTTXYLBOTREN-AWEZNQCLSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C@H;D3;+0:6](-[OH;D1;+0:7])-[c:8]>>[C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[c:8] 38ef0ada95a072a831346afc7e59bd11cea2e457992c243050146c66a2feb915 [CH3:1][CH2:2][O:3][C:4](=[O:5])[C:6](=[O:7])[c:8]1[c:9]([O:10][S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])[c:18]2[cH:19][cH:20][c:21]([Br:22])[cH:23][c:24]2[cH:25][c:26]1[CH3:27]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@@H:6]([OH:7])[c:8]1[c:9]([O:10][S:11](=[O:12])(=[O:13])[C:14]([F:15])([F:16])[F:17])[c:18]2[cH:19][cH:20][c:21]([Br:22])[cH:23][c:24]2[cH:25][c:26]1[CH3:27] RYNDRWZBBFJRKI-UHFFFAOYSA-N>>JWFBXQWHYSEMMB-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C@H;D3;+0:6](-[OH;D1;+0:7])-[c:8]>>[C;D1;H3:1]-[C:2]-[#8:3]-[C:4](=[O;D1;H0:5])-[C;H0;D3;+0:6](=[O;H0;D1;+0:7])-[c:8] 38ef0ada95a072a831346afc7e59bd11cea2e457992c243050146c66a2feb915 Br[CH2:3][CH:2]=[CH2:1].[CH2:4]1[CH2:5][C@H:6]([c:7]2[cH:8][c:9]([Cl:10])[cH:11][cH:12][cH:13]2)[C@@H:14]([c:15]2[cH:16][cH:17][c:18]([Cl:19])[cH:20][cH:21]2)[N:22]([C@@H:23]([CH2:24][CH3:25])[C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[C:33]1=[O:34]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH2:1]=[CH:2][CH2:3][C@@H:4]1[CH2:5][C@H:6]([c:7]2[cH:8][c:9]([Cl:10])[cH:11][cH:12][cH:13]2)[C@@H:14]([c:15]2[cH:16][cH:17][c:18]([Cl:19])[cH:20][cH:21]2)[N:22]([C@@H:23]([CH2:24][CH3:25])[C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[C:33]1=[O:34] BHELZAPQIKSEDF-UHFFFAOYSA-N.PMPTUTXBCGBQHH-FUPPJEDESA-N>>PZMXKBWZDWOQHP-ZBCONREDSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@@H;D3;+0:7](-[C:8])-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3]>>Br-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3].[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 33ab82ef5c99f3e34387d3b6e363f0a79dd4e6af47e65d8e6c0b4cf419209900 Br[CH2:3][CH:2]=[CH2:1].[CH2:4]([CH2:5][C@H:6]([NH:7][C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[C:15](=[O:16])[O:17][CH3:18])[C:19](=[O:20])[O:21][CH3:22]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH2:1]=[CH:2][CH2:3][C@@H:4]([CH2:5][C@H:6]([NH:7][C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[C:15](=[O:16])[O:17][CH3:18])[C:19](=[O:20])[O:21][CH3:22] BHELZAPQIKSEDF-UHFFFAOYSA-N.QNSPKWUAZQIIGZ-QMMMGPOBSA-N>>OLYQRWOTCNSPDX-QWRGUYRKSA-N 0.0 Unrecognized False substrate controlled False [C:4]-[C@H;D3;+0:5](-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3])-[C:6](=[O;D1;H0:7])-[#8:8]-[C;D1;H3:9]>>Br-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3].[C:4]-[CH2;D2;+0:5]-[C:6](=[O;D1;H0:7])-[#8:8]-[C;D1;H3:9] 90f67f4b4b3f76193e0fcc1c17d31ae70c1194f3def763fb3dc851171b09a9e2 I[CH2:6][CH2:7][CH2:8][CH2:9][I:10].[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:11][C@H:12]([NH:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[C:21](=[O:22])[O:23][CH3:24]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([CH2:6][CH2:7][CH2:8][CH2:9][I:10])[CH2:11][C@H:12]([NH:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[C:21](=[O:22])[O:23][CH3:24] QNSPKWUAZQIIGZ-QMMMGPOBSA-N.ROUYUBHVBIKMQO-UHFFFAOYSA-N>>NMSCVSWWDOJTLA-RYUDHWBXSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@@H;D3;+0:4](-[CH2;D2;+0:1]-[C:2])-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8]>>I-[CH2;D2;+0:1]-[C:2].[C:3]-[CH2;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8] f2b50c87de6ed6088f63230e9360d9ece690004b6f081818e3623d92e8a1d420 [CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([S:7](=[O:8])(=[O:9])[N:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[CH2:15][C@@H:16]([OH:17])[C@H:18]([CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[NH:26][C:27](=[O:28])[O:29][C@H:30]2[CH2:31][C@H:32]3[O:33][CH2:34][C:35](=[O:36])[C@H:37]3[CH2:38]2)[cH:39][cH:40]1>CCO.B.Cl.N.[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([S:7](=[O:8])(=[O:9])[N:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[CH2:15][C@@H:16]([OH:17])[C@H:18]([CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[NH:26][C:27](=[O:28])[O:29][C@H:30]2[CH2:31][C@H:32]3[O:33][CH2:34][C@@H:35]([OH:36])[C@H:37]3[CH2:38]2)[cH:39][cH:40]1 IHIYGFKADOCHGS-HOZVGSINSA-N>>LJPOEDMTSRUIGG-VCXIZWHYSA-N 0.0 Unrecognized False substrate controlled False [#8:1]-[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#8:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] acd65360c41d94aad84f54104b4be3e8d3b157bdb1eb571ebb7df7c4147c5c5e [CH3:1][C:2]1=[CH:3][C@@H:4]([CH2:5][O:6][Si:7]([CH3:8])([CH3:9])[C:10]([CH3:11])([CH3:12])[CH3:13])[N:14]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:22][C:23]1=[O:24]>CO.O.B.[Ce+3].Cl.Cl.Cl.Cl.N.[Na+]>[CH3:1][C:2]1=[CH:3][C@@H:4]([CH2:5][O:6][Si:7]([CH3:8])([CH3:9])[C:10]([CH3:11])([CH3:12])[CH3:13])[N:14]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:22][C@H:23]1[OH:24] ZSLXITIMMRZQBV-AWEZNQCLSA-N>>OLBWRIKUNCOAAZ-LSDHHAIUSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@@H;D3;+0:3](-[OH;D1;+0:4])-[C:5]=[C:6]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](=[O;H0;D1;+0:4])-[C:5]=[C:6] fabaa133cc332e0d9182a6a063f56bb9327a028e9b4e958c8de559721979bcf3 [CH3:1][C:2]1=[CH:3][C:4](=[O:5])[CH2:6][N:7]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[C@@H:15]1[CH2:16][O:17][Si:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[CH3:24]>CO.O.O.O.O.O.O.O.B.[Ce+3].Cl.Cl.Cl.[Na+]>[CH3:1][C:2]1=[CH:3][C@H:4]([OH:5])[CH2:6][N:7]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[C@@H:15]1[CH2:16][O:17][Si:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[CH3:24] WTDSBZCGBQDOHM-OAHLLOKOSA-N>>HSFSKUHPZHQHLR-LSDHHAIUSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@@H;D3;+0:3](-[OH;D1;+0:4])-[C:5]=[C:6]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](=[O;H0;D1;+0:4])-[C:5]=[C:6] fabaa133cc332e0d9182a6a063f56bb9327a028e9b4e958c8de559721979bcf3 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10](=[O:11])[CH:12]=[CH:13][C@H:14]1[CH2:15][O:16][Si:17]([CH3:18])([CH3:19])[C:20]([CH3:21])([CH3:22])[CH3:23]>CO.B.Cl.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C@@H:10]([OH:11])[CH:12]=[CH:13][C@H:14]1[CH2:15][O:16][Si:17]([CH3:18])([CH3:19])[C:20]([CH3:21])([CH3:22])[CH3:23] XXUGZUUTXFNCOU-ZDUSSCGKSA-N>>FVHYUVCQMCULON-KBPBESRZSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@@H;D3;+0:3](-[OH;D1;+0:4])-[C:5]=[C:6]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](=[O;H0;D1;+0:4])-[C:5]=[C:6] fabaa133cc332e0d9182a6a063f56bb9327a028e9b4e958c8de559721979bcf3 Br[Mg][c:5]1[cH:6][cH:7][c:8]([F:9])[cH:10][cH:11]1.[O:1]=[C:2](/[CH:3]=[CH:4]/[c:12]1[cH:13][c:14]([F:15])[cH:16][c:17]([F:18])[cH:19]1)[N:20]1[C:21](=[O:22])[O:23][CH2:24][C@H:25]1[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>C1CCOC1>[O:1]=[C:2]([CH2:3][C@@H:4]([c:5]1[cH:6][cH:7][c:8]([F:9])[cH:10][cH:11]1)[c:12]1[cH:13][c:14]([F:15])[cH:16][c:17]([F:18])[cH:19]1)[N:20]1[C:21](=[O:22])[O:23][CH2:24][C@H:25]1[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1 QYBFFRXNNFXREA-UHFFFAOYSA-M.ZMTJOECYHJFCGL-MOEXGYKKSA-N>>NKUSSVQYKYWWTI-VXKWHMMOSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C@@H;D3;+0:8](-[c:9])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>Br-[Mg]-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7:4]-[C:5](=[O;D1;H0:6])/[CH;D2;+0:7]=[CH;D2;+0:8]/[c:9] 60c054effc49b32d9c28785ecfbaa15579bd87fda419b117b8f0cd6720239d99 CC(C)c1cc(C(C)C)c(S(=O)(=O)[N:3]=[N+:2]=[N-:1])c(C(C)C)c1.[CH2:4]([C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[C@@H:19]([c:20]1[cH:21][cH:22][c:23]([F:24])[cH:25][cH:26]1)[c:27]1[cH:28][c:29]([F:30])[cH:31][c:32]([F:33])[cH:34]1>C1CCOC1.CC(=O)O.CC(=O)O.C[N+](C)(C)C.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[N-:1]=[N+:2]=[N:3][C@H:4]([C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[C@@H:19]([c:20]1[cH:21][cH:22][c:23]([F:24])[cH:25][cH:26]1)[c:27]1[cH:28][c:29]([F:30])[cH:31][c:32]([F:33])[cH:34]1 AEMWUHCKKDPRSK-UHFFFAOYSA-N.NKUSSVQYKYWWTI-FCHUYYIVSA-N>>MRQXQZZCEPGDQM-FSSWDIPSSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]>>C-C(-C)-c1:c:c(-C(-C)-C):c(-S(=O)(=O)-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]):c(-C(-C)-C):c:1.[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 5d62210582e8509f7297b5a975afcc5b3dde53629231d99da0265d38e21e8265 [CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]([C:7](=[O:8])[CH2:9][CH3:10])[N:11]([CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1>CCO.O.B.Cl.N.[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]([C@H:7]([OH:8])[CH2:9][CH3:10])[N:11]([CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1 JVSLCMWTABDGGR-FQEVSTJZSA-N>>VMKNTGBKYAHGCT-UXHICEINSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9] 811c4d40f644988e478ae44f96428cdb9344f188862e684f75c42e22295e3173 O=[C:14]1[CH2:13][CH2:12][C@@H:11]([C:2](=[O:1])[O:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][cH:9][cH:10]2)[CH2:28]1.[NH:15]1[CH2:16][CH2:17][N:18]([c:19]2[cH:20][c:21]([F:22])[cH:23][cH:24][cH:25]2)[CH2:26][CH2:27]1>CC(=O)O.CC(=O)OB(OC(C)=O)OC(C)=O.ClCCCl.O=C(O)O.[Na+].[Na+]>[O:1]=[C:2]([O:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[C@@H:11]1[CH2:12][CH2:13][C@H:14]([N:15]2[CH2:16][CH2:17][N:18]([c:19]3[cH:20][c:21]([F:22])[cH:23][cH:24][cH:25]3)[CH2:26][CH2:27]2)[CH2:28]1 KIFCSMQTGWVMOD-UHFFFAOYSA-N.UJDODTGHYKJEAA-LLVKDONJSA-N>>GLKKKSXDGVWYMT-KNQAVFIVSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:1](-[C:3])-[N;H0;D3;+0:5](-[C:4])-[C:6]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[C:4]-[NH;D2;+0:5]-[C:6] 777903f37b47ae3e31ddb6d72eebb58bd121b42b4a901eba099bd4f3a499b2bc [CH3:1][C@:2]12[CH2:3][C@H:4]3[CH2:5][CH2:6][C:7]4=[CH:8][C:9](=[O:10])[CH2:11][CH2:12][C@H:13]4[C@@H:14]3[CH2:15][C@@H:16]1[CH2:17][CH2:18][C:19]2=[O:20]>[Pd].c1ccncc1>[CH3:1][C@:2]12[CH2:3][C@H:4]3[CH2:5][CH2:6][C@H:7]4[CH2:8][C:9](=[O:10])[CH2:11][CH2:12][C@H:13]4[C@@H:14]3[CH2:15][C@@H:16]1[CH2:17][CH2:18][C:19]2=[O:20] CHKFLJRCWMUSAP-YNDDDKNDSA-N>>BLOWEPFFQRPMDH-XKAFPQCMSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[CH2;D2;+0:4]-[C:5]=[O;D1;H0:6]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[CH;D2;+0:4]-[C:5]=[O;D1;H0:6] 9182058add2a31e71953c59da91495e91a73b68dc14a14f3396d80a99aae5acd [CH3:1][C@:2]12[CH2:3][C@H:4]3[CH2:5][CH2:6][C@H:7]4[CH2:8][C:9](=[O:10])[CH2:11][CH2:12][C@H:13]4[C@@H:14]3[CH2:15][C@@H:16]1[CH2:17][CH2:18][C:19]2=[O:20]>C1CCOC1.CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C.Cl.[Li+]>[CH3:1][C@:2]12[CH2:3][C@H:4]3[CH2:5][CH2:6][C@H:7]4[CH2:8][C@@H:9]([OH:10])[CH2:11][CH2:12][C@H:13]4[C@@H:14]3[CH2:15][C@@H:16]1[CH2:17][CH2:18][C:19]2=[O:20] BLOWEPFFQRPMDH-XKAFPQCMSA-N>>DHIJPPMAXSVRJT-NPPSCGBJSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d CS(=O)[CH3:20].[CH3:1][C@:2]12[CH2:3][C@H:4]3[CH2:5][CH2:6][C@H:7]4[CH2:8][C@@H:9]([OH:10])[CH2:11][CH2:12][C@H:13]4[C@@H:14]3[CH2:15][C@@H:16]1[CH2:17][CH2:18][C:19]2=[O:21]>CC(C)(C)O.C[S+](C)C.O.I.[K+]>[CH3:1][C@:2]12[CH2:3][C@H:4]3[CH2:5][CH2:6][C@H:7]4[CH2:8][C@@H:9]([OH:10])[CH2:11][CH2:12][C@H:13]4[C@@H:14]3[CH2:15][C@@H:16]1[CH2:17][CH2:18][C@@:19]21[CH2:20][O:21]1 DHIJPPMAXSVRJT-NPPSCGBJSA-N.IAZDPXIOMUYVGZ-UHFFFAOYSA-N>>SNQUVMKPORCQAB-KWFAWWAESA-N 0.0 Unrecognized True substrate controlled False [C@;H0;D4;+0:2]1-[CH2;D2;+0:1]-[O;H0;D2;+0:3]-1>>C-S(=O)-[CH3;D1;+0:1].[C;H0;D3;+0:2]=[O;H0;D1;+0:3] 6d683b8fd97e1aac998b070e68e8712c3314b9e3692bab53c3b3e9950b536074 [CH3:1][C@:2]12[CH2:3][C@H:4]3[CH2:5][CH2:6][C:7]4=[CH:8][C:9](=[O:10])[CH2:11][CH2:12][C@@:13]4([CH3:14])[C@@H:15]3[CH2:16][C@@H:17]1[CH2:18][CH2:19][C@@H:20]2[OH:21]>C1CCOC1.N.Cl.[Li].N>[CH3:1][C@:2]12[CH2:3][C@H:4]3[CH2:5][CH2:6][C@@H:7]4[CH2:8][C:9](=[O:10])[CH2:11][CH2:12][C@@:13]4([CH3:14])[C@@H:15]3[CH2:16][C@@H:17]1[CH2:18][CH2:19][C@@H:20]2[OH:21] OENCKTLAFXFKMN-RGRHTKLBSA-N>>AGAQHAWMXVMOCN-FUQKJMROSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[CH2;D2;+0:4]-[C:5]=[O;D1;H0:6]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[CH;D2;+0:4]-[C:5]=[O;D1;H0:6] e8d4f1f8149597570a8322f400fb98a7d2abf7f149d24a71d72a23f2556221b5 [CH3:1][C@:2]12[CH2:3][C@H:4]3[CH2:5][CH2:6][C@@H:7]4[CH2:8][C:9](=[O:10])[CH2:11][CH2:12][C@@:13]4([CH3:14])[C@@H:15]3[CH2:16][C@@H:17]1[CH2:18][CH2:19][C:20]2=[O:21]>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.OO.[K+].[Na+].O>[CH3:1][C@:2]12[CH2:3][C@H:4]3[CH2:5][CH2:6][C@@H:7]4[CH2:8][C@@H:9]([OH:10])[CH2:11][CH2:12][C@@:13]4([CH3:14])[C@@H:15]3[CH2:16][C@@H:17]1[CH2:18][CH2:19][C:20]2=[O:21] AZXPULXNABDDNJ-PXGRTXHBSA-N>>IBGUKUJESQBIBA-VEDSHGLUSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d CS(=O)[CH3:21].[CH3:1][C@:2]12[CH2:3][C@H:4]3[CH2:5][CH2:6][C@@H:7]4[CH2:8][C@@H:9]([OH:10])[CH2:11][CH2:12][C@@:13]4([CH3:14])[C@@H:15]3[CH2:16][C@@H:17]1[CH2:18][CH2:19][C:20]2=[O:22]>CC(C)(C)O.C[S+](C)C.O.I.[K+]>[CH3:1][C@:2]12[CH2:3][C@H:4]3[CH2:5][CH2:6][C@@H:7]4[CH2:8][C@@H:9]([OH:10])[CH2:11][CH2:12][C@@:13]4([CH3:14])[C@@H:15]3[CH2:16][C@@H:17]1[CH2:18][CH2:19][C@@:20]21[CH2:21][O:22]1 IAZDPXIOMUYVGZ-UHFFFAOYSA-N.IBGUKUJESQBIBA-VEDSHGLUSA-N>>NYSHZNMIKYOREG-QVNJDCLOSA-N 0.0 Unrecognized True substrate controlled False [C@;H0;D4;+0:2]1-[CH2;D2;+0:1]-[O;H0;D2;+0:3]-1>>C-S(=O)-[CH3;D1;+0:1].[C;H0;D3;+0:2]=[O;H0;D1;+0:3] 6d683b8fd97e1aac998b070e68e8712c3314b9e3692bab53c3b3e9950b536074 [CH3:1][C@@:2]12[CH2:3][C@@H:4]3[CH2:5][CH2:6][C:7]4=[CH:8][C:9](=[O:10])[CH2:11][CH2:12][C@@H:13]4[C@H:14]3[CH2:15][C@H:16]1[CH2:17][CH2:18][C@H:19]2[OH:20]>C1CCOC1.N.Cl.[Li].N>[CH3:1][C@@:2]12[CH2:3][C@@H:4]3[CH2:5][CH2:6][C@H:7]4[CH2:8][C:9](=[O:10])[CH2:11][CH2:12][C@@H:13]4[C@H:14]3[CH2:15][C@H:16]1[CH2:17][CH2:18][C@H:19]2[OH:20] MUJXIYICDVNDRP-AKKRCFLFSA-N>>VZDVTNRSMJFWEF-GCLULJIHSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[CH2;D2;+0:4]-[C:5]=[O;D1;H0:6]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[CH;D2;+0:4]-[C:5]=[O;D1;H0:6] 9182058add2a31e71953c59da91495e91a73b68dc14a14f3396d80a99aae5acd [CH3:1][C@@:2]12[CH2:3][C@@H:4]3[CH2:5][CH2:6][C@H:7]4[CH2:8][C:9](=[O:10])[CH2:11][CH2:12][C@@H:13]4[C@H:14]3[CH2:15][C@H:16]1[CH2:17][CH2:18][C:19]2=[O:20]>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.OO.[K+].[Na+].O>[CH3:1][C@@:2]12[CH2:3][C@@H:4]3[CH2:5][CH2:6][C@H:7]4[CH2:8][C@H:9]([OH:10])[CH2:11][CH2:12][C@@H:13]4[C@H:14]3[CH2:15][C@H:16]1[CH2:17][CH2:18][C:19]2=[O:20] BLOWEPFFQRPMDH-QEGKWLMWSA-N>>DHIJPPMAXSVRJT-NJPUWAIWSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C@@:2]12[CH2:3][C@@H:4]3[CH2:5][CH2:6][C:7]4=[CH:8][C:9](=[O:10])[CH2:11][CH2:12][C@@H:13]4[C@H:14]3[CH2:15][C@H:16]1[CH2:17][CH2:18][C@H:19]2[OH:20]>[Pd].c1ccncc1>[CH3:1][C@@:2]12[CH2:3][C@@H:4]3[CH2:5][CH2:6][C@@H:7]4[CH2:8][C:9](=[O:10])[CH2:11][CH2:12][C@@H:13]4[C@H:14]3[CH2:15][C@H:16]1[CH2:17][CH2:18][C@H:19]2[OH:20] MUJXIYICDVNDRP-AKKRCFLFSA-N>>VZDVTNRSMJFWEF-QOQAXANBSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[CH2;D2;+0:4]-[C:5]=[O;D1;H0:6]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[CH;D2;+0:4]-[C:5]=[O;D1;H0:6] e8d4f1f8149597570a8322f400fb98a7d2abf7f149d24a71d72a23f2556221b5 [CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C@@H:7]([CH3:8])[N:9]2[CH2:10][C@H:11]([C:12]([CH3:13])=[O:14])[CH2:15][C:16]2=[O:17])[cH:18][cH:19]1>CC#N.CCN(CC)CC.CCOC(C)=O.Cl.O.O=CO.Cl.[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C@@H:7]([CH3:8])[N:9]2[CH2:10][C@H:11]([C@@H:12]([CH3:13])[OH:14])[CH2:15][C:16]2=[O:17])[cH:18][cH:19]1 XZXAYJGAMIYAIZ-ZWNOBZJWSA-N>>PMHXOVWGWGSGGS-NQBHXWOUSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C;D1;H3:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d CS(=O)(=O)O[C@@H:15]([CH3:16])[C@@H:17]1[CH2:18][C:19](=[O:20])[N:21]([C@H:22]([CH3:23])[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH2:30]1.[CH3:1][O:2][c:3]1[c:4]([O:5][CH3:6])[cH:7][c:8](-[c:9]2[cH:10][c:11]3[c:12]([c:13]([OH:14])[cH:31]2)[n:32]([CH3:33])[cH:34][n:35]3)[cH:36][cH:37]1>CN(C)C=O.O=C(O)O.[Cs+].[Cs+]>[CH3:1][O:2][c:3]1[c:4]([O:5][CH3:6])[cH:7][c:8](-[c:9]2[cH:10][c:11]3[c:12]([c:13]([O:14][C@H:15]([CH3:16])[C@@H:17]4[CH2:18][C:19](=[O:20])[N:21]([C@H:22]([CH3:23])[c:24]5[cH:25][cH:26][cH:27][cH:28][cH:29]5)[CH2:30]4)[cH:31]2)[n:32]([CH3:33])[cH:34][n:35]3)[cH:36][cH:37]1 KKLFDSMBGXDRPR-UHFFFAOYSA-N.UPFCZMKJZKGNFX-MBNYWOFBSA-N>>IYZYODLIQRPMGD-YOSAUDMPSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[c:6]-[O;H0;D2;+0:7]-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[#7;a:4]:[c:5]:[c:6]-[OH;D1;+0:7] f5fb41e30f7ce87651155fa11df5832312fce42f2e2690986b83689149d898a0 CS(=O)(=O)O[C@H:12]([C@H:11]1[CH2:10][N:9]([C@@H:7]([c:6]2[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:38][cH:37]2)[CH3:8])[C:35](=[O:36])[CH2:34]1)[CH3:13].[OH:14][c:15]1[cH:16][c:17](-[c:18]2[cH:19][n:20]([C:21]([CH3:22])([CH3:23])[CH3:24])[n:25][cH:26]2)[cH:27][n:28]2[n:29][cH:30][c:31]([Br:32])[c:33]12>CN(C)C=O.O=C(O)O.O=C(O)O.[Cs+].[Cs+].[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C@@H:7]([CH3:8])[N:9]2[CH2:10][C@H:11]([C@@H:12]([CH3:13])[O:14][c:15]3[cH:16][c:17](-[c:18]4[cH:19][n:20]([C:21]([CH3:22])([CH3:23])[CH3:24])[n:25][cH:26]4)[cH:27][n:28]4[n:29][cH:30][c:31]([Br:32])[c:33]34)[CH2:34][C:35]2=[O:36])[cH:37][cH:38]1 DJTIWRYYQPGLSM-MBNYWOFBSA-N.XBZPTKRBBPELHY-UHFFFAOYSA-N>>KZFVQUBUFVLCRC-SFHLNBCPSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[c:6]-[O;H0;D2;+0:7]-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[#7;a:4]:[c:5]:[c:6]-[OH;D1;+0:7] f5fb41e30f7ce87651155fa11df5832312fce42f2e2690986b83689149d898a0 CS(=O)(=O)O[C@H:12]([C@H:11]1[CH2:10][N:9]([C@@H:7]([c:6]2[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:30][cH:29]2)[CH3:8])[C:27](=[O:28])[CH2:26]1)[CH3:13].[OH:14][c:15]1[cH:16][c:17]([Cl:18])[cH:19][n:20]2[n:21][cH:22][c:23]([CH3:24])[c:25]12>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C@@H:7]([CH3:8])[N:9]2[CH2:10][C@H:11]([C@@H:12]([CH3:13])[O:14][c:15]3[cH:16][c:17]([Cl:18])[cH:19][n:20]4[n:21][cH:22][c:23]([CH3:24])[c:25]34)[CH2:26][C:27]2=[O:28])[cH:29][cH:30]1 DJTIWRYYQPGLSM-MBNYWOFBSA-N.PFVLWTHZHFGZPF-UHFFFAOYSA-N>>PYKKZOJIOWRGID-JFIYKMOQSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[c:6]-[O;H0;D2;+0:7]-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[#7;a:4]:[c:5]:[c:6]-[OH;D1;+0:7] f5fb41e30f7ce87651155fa11df5832312fce42f2e2690986b83689149d898a0 CS(=O)(=O)O[C@H:12]([C@H:11]1[CH2:10][N:9]([C@@H:7]([c:6]2[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:29][cH:28]2)[CH3:8])[C:26](=[O:27])[CH2:25]1)[CH3:13].[OH:14][c:15]1[cH:16][c:17]([Cl:18])[cH:19][n:20]2[n:21][cH:22][cH:23][c:24]12>CN(C)C=O.O=C(O)O.O=C(O)O.[Cs+].[Cs+].[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C@@H:7]([CH3:8])[N:9]2[CH2:10][C@H:11]([C@@H:12]([CH3:13])[O:14][c:15]3[cH:16][c:17]([Cl:18])[cH:19][n:20]4[n:21][cH:22][cH:23][c:24]34)[CH2:25][C:26]2=[O:27])[cH:28][cH:29]1 DJTIWRYYQPGLSM-MBNYWOFBSA-N.QLGOXEWFNBDPBW-UHFFFAOYSA-N>>ZXVSMKDWMRSYDG-BFYDXBDKSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[c:6]-[O;H0;D2;+0:7]-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[#7;a:4]:[c:5]:[c:6]-[OH;D1;+0:7] f5fb41e30f7ce87651155fa11df5832312fce42f2e2690986b83689149d898a0 CS(=O)(=O)O[C@H:12]([C@H:11]1[CH2:10][N:9]([C@@H:7]([c:6]2[cH:5][cH:4][c:3]([O:2][CH3:1])[cH:38][cH:37]2)[CH3:8])[C:35](=[O:36])[CH2:34]1)[CH3:13].[OH:14][c:15]1[cH:16][c:17](-[c:18]2[cH:19][n:20]([C:21]([CH3:22])([CH3:23])[CH3:24])[n:25][cH:26]2)[cH:27][n:28]2[n:29][c:30]([CH3:31])[cH:32][c:33]12>C1CCOC1.CN(C)C=O.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C@@H:7]([CH3:8])[N:9]2[CH2:10][C@H:11]([C@@H:12]([CH3:13])[O:14][c:15]3[cH:16][c:17](-[c:18]4[cH:19][n:20]([C:21]([CH3:22])([CH3:23])[CH3:24])[n:25][cH:26]4)[cH:27][n:28]4[n:29][c:30]([CH3:31])[cH:32][c:33]34)[CH2:34][C:35]2=[O:36])[cH:37][cH:38]1 DJTIWRYYQPGLSM-MBNYWOFBSA-N.OMYJSANOXHLLCD-UHFFFAOYSA-N>>BMYMLSSTSKLKMY-MQSCRBSSSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[c:6]-[O;H0;D2;+0:7]-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[#7;a:4]:[c:5]:[c:6]-[OH;D1;+0:7] f5fb41e30f7ce87651155fa11df5832312fce42f2e2690986b83689149d898a0 [O:1]=[C:2]([CH2:3][CH2:4][CH2:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][c:11]([F:12])[cH:13][cH:14]1)[N:15]1[CH2:16][CH2:17][O:18][CH2:19][CH2:20]1>CCOC(C)=O.CO.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=P(O)(O)O.[K+].[K+].[K+]>[O:1]=[C:2]([CH2:3][CH2:4][CH2:5][C@H:6]([OH:7])[c:8]1[cH:9][cH:10][c:11]([F:12])[cH:13][cH:14]1)[N:15]1[CH2:16][CH2:17][O:18][CH2:19][CH2:20]1 RUDLRIKXTHXKLF-UHFFFAOYSA-N>>QPOJBHHTCVCLNP-AWEZNQCLSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c O[OH:23].[CH3:1][C@H:2]([O:3][Si:4]([CH3:5])([CH3:6])[C:7]([CH3:8])([CH3:9])[CH3:10])[C@@:11]1([NH:12][C:13](=[O:14])[N:15]([CH3:16])[CH3:17])[C:18](=[O:19])[C:20]([CH2:21][OH:22])=[CH:24][C@@H:25]1[NH:26][C:27](=[O:28])[O:29][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>CCOCC.CO.ClCCl.[Na+].O>[CH3:1][C@H:2]([O:3][Si:4]([CH3:5])([CH3:6])[C:7]([CH3:8])([CH3:9])[CH3:10])[C@@:11]1([NH:12][C:13](=[O:14])[N:15]([CH3:16])[CH3:17])[C:18](=[O:19])[C@:20]2([CH2:21][OH:22])[O:23][C@@H:24]2[C@@H:25]1[NH:26][C:27](=[O:28])[O:29][CH2:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1 MHAJPDPJQMAIIY-UHFFFAOYSA-N.ZHQRKMAMNUMZCB-SZUKKWSHSA-N>>ONCZBCZTVLAPDU-YKQVKONSSA-N 0.0 Unrecognized True substrate controlled False [C@;H0;D4;+0:2]1-[C@H;D3;+0:3]-[O;H0;D2;+0:1]-1>>O-[OH;D1;+0:1].[C;H0;D3;+0:2]=[CH;D2;+0:3] cf25a9007427bead49ad83cec34a1e91992b6103a78be53a1360c44a38b88cf5 I[c:6]1[c:4]([F:5])[cH:3][c:2]([F:1])[cH:20][cH:19]1.[C:7]12=[N:18][O:17][CH2:16][C@@H:15]1[CH2:14][C@H:10]([CH:11]1[CH2:12][CH2:13]1)[O:9][CH2:8]2>CCOCC.Cc1ccccc1.FB(F)F.[Li]CCCC>[F:1][c:2]1[cH:3][c:4]([F:5])[c:6]([C@:7]23[CH2:8][O:9][C@@H:10]([CH:11]4[CH2:12][CH2:13]4)[CH2:14][C@H:15]2[CH2:16][O:17][NH:18]3)[cH:19][cH:20]1 STAYBCAOJDIOOP-IONNQARKSA-N.YKLDMAPEGQYZRT-UHFFFAOYSA-N>>FPAJTXOOKODPBT-VQISRLSMSA-N 0.0 Unrecognized False substrate controlled False [#8:4]-[NH;D2;+0:5]-[C@;H0;D4;+0:6](-[C:7])(-[C:8]-[#8:9])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>I-[c;H0;D3;+0:1](:[c:2]):[c:3].[#8:4]-[N;H0;D2;+0:5]=[C;H0;D3;+0:6](-[C:7])-[C:8]-[#8:9] b5b6e89b79159004b1c7a9a3c723eb46a959bd81f44aa0225fcc3015b8f13513 I[c:6]1[c:4]([F:5])[cH:3][c:2]([F:1])[cH:21][cH:20]1.[C:7]12=[N:19][O:18][CH2:17][C@@H:16]1[CH2:15][C@H:10]([CH2:11][CH:12]1[CH2:13][CH2:14]1)[O:9][CH2:8]2>CCOCC.Cc1ccccc1.FB(F)F.[Li]CCCC>[F:1][c:2]1[cH:3][c:4]([F:5])[c:6]([C@:7]23[CH2:8][O:9][C@@H:10]([CH2:11][CH:12]4[CH2:13][CH2:14]4)[CH2:15][C@H:16]2[CH2:17][O:18][NH:19]3)[cH:20][cH:21]1 VETJHVHYYQKKFP-IUCAKERBSA-N.YKLDMAPEGQYZRT-UHFFFAOYSA-N>>FAXKXZLTTCIXPM-RBOXIYTFSA-N 0.0 Unrecognized False substrate controlled False [#8:4]-[NH;D2;+0:5]-[C@;H0;D4;+0:6](-[C:7])(-[C:8]-[#8:9])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>I-[c;H0;D3;+0:1](:[c:2]):[c:3].[#8:4]-[N;H0;D2;+0:5]=[C;H0;D3;+0:6](-[C:7])-[C:8]-[#8:9] b5b6e89b79159004b1c7a9a3c723eb46a959bd81f44aa0225fcc3015b8f13513 [O:1]=[C:2]([CH2:3][CH2:4][CH2:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][c:11]([F:12])[cH:13][cH:14]1)[N:15]1[CH2:16][CH2:17][O:18][CH2:19][CH2:20]1>CCOC(C)=O.CO.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=P(O)(O)O.[K+].[K+].[K+]>[O:1]=[C:2]([CH2:3][CH2:4][CH2:5][C@H:6]([OH:7])[c:8]1[cH:9][cH:10][c:11]([F:12])[cH:13][cH:14]1)[N:15]1[CH2:16][CH2:17][O:18][CH2:19][CH2:20]1 RUDLRIKXTHXKLF-UHFFFAOYSA-N>>QPOJBHHTCVCLNP-AWEZNQCLSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][N:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])[C:10]1=[N:11][C@H:12]2[C@H:13]([O:14][C@H:15]([CH2:16][O:17][Si:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[CH3:24])[C:25](=[O:26])[C@@H:27]2[F:28])[S:29]1>CO.O=C=O.B.[Na+]>[CH3:1][N:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])[C:10]1=[N:11][C@H:12]2[C@H:13]([O:14][C@H:15]([CH2:16][O:17][Si:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[CH3:24])[C@H:25]([OH:26])[C@@H:27]2[F:28])[S:29]1 OZPRISJGWACKFO-RGCMKSIDSA-N>>PGACXQGDYVDSOG-ARILJUKYSA-N 0.0 Unrecognized False substrate controlled False [#8:1]-[C:2]-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#8:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 1916be9ef8bda8c20f0bed2e6fd545bbb800c548e04828ab535e0fdf6488907c [CH2:1]=[CH:2][CH2:3][O:4][C:5]1([CH3:6])[CH2:7][CH2:8][N:9]([c:10]2[c:11]([C:12](=[O:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([CH3:19])[cH:20][c:21]3[n:22][c:23]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[cH:29][n:30]23)[CH2:31][CH2:32]1>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CC#N.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.O=C=O.[Na+]>[CH2:1]=[CH:2][CH2:3][O:4][C:5]1([CH3:6])[CH2:7][CH2:8][N:9]([c:10]2[c:11]([C@H:12]([OH:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([CH3:19])[cH:20][c:21]3[n:22][c:23]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[cH:29][n:30]23)[CH2:31][CH2:32]1 GRUZZCZNSSJZFB-UHFFFAOYSA-N>>WHBPXSSJZYJDMX-IBGZPJMESA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C;D1;H3:9]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C;D1;H3:9] 25f40063a622448f2328474fbc08d9bc9d8a2a737292a1421931f3a068ce9d2a [CH2:1]=[CH:2][CH2:3][O:4][C:5]1([CH3:6])[CH2:7][CH2:8][N:9]([c:10]2[c:11]([C:12](=[O:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([CH3:19])[cH:20][c:21]3[n:22][c:23](-[c:24]4[cH:25][c:26]([Br:27])[cH:28][cH:29][cH:30]4)[cH:31][n:32]23)[CH2:33][CH2:34]1>C=CCCC1(C)CCN(c2c([C@H](O)C(=O)OC)c(C)cc3nc(C(=O)OCC)cn23)CC1>[CH2:1]=[CH:2][CH2:3][O:4][C:5]1([CH3:6])[CH2:7][CH2:8][N:9]([c:10]2[c:11]([C@H:12]([OH:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([CH3:19])[cH:20][c:21]3[n:22][c:23](-[c:24]4[cH:25][c:26]([Br:27])[cH:28][cH:29][cH:30]4)[cH:31][n:32]23)[CH2:33][CH2:34]1 PBOUXHPIPXYHQM-UHFFFAOYSA-N>>XSOVKAZSDSSBLC-QHCPKHFHSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C;D1;H3:9]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C;D1;H3:9] 25f40063a622448f2328474fbc08d9bc9d8a2a737292a1421931f3a068ce9d2a CS(=O)(=O)O[C@H:14]1[C@H:9]([NH:8][C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:10][O:11][CH2:12][CH2:13]1.[N-:15]=[N+:16]=[N-:17]>CC(=O)O.CN(C)C=O.[Na+].[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]1[CH2:10][O:11][CH2:12][CH2:13][C@@H:14]1[N:15]=[N+:16]=[N-:17] IVRMZWNICZWHMI-UHFFFAOYSA-N.OJHYVNWQNQGHRP-RKDXNWHRSA-N>>ONIFJYIOJUHWRX-JGVFFNPUSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] e79cd9ff929b7823a9a1d3ebd47f2eb0444b747171361724dee4b1aadfcac2ef O[C@@H:9]1[C@@H:4]([NH:3][C:2](=[O:1])[O:21][CH2:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[CH2:5][C@@H:6]2[CH2:7][C@@H:8]21.[NH:10]1[C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]2[C:19]1=[O:20]>CC(C)OC(=O)N=NC(=O)OC(C)C.CO.Cc1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[O:1]=[C:2]([NH:3][C@H:4]1[CH2:5][C@@H:6]2[CH2:7][C@@H:8]2[C@H:9]1[N:10]1[C:11](=[O:12])[c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]2[C:19]1=[O:20])[O:21][CH2:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1 HMVKEPXCNVMMPR-CYDGBPFRSA-N.XKJCHHZQLQNZHY-UHFFFAOYSA-N>>PMUJVCBRFSBDNR-UDTPNQRGSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3])-[N;H0;D3;+0:6]1-[C:5](=[O;D1;H0:4])-[c:14]2:[c:13]:[c:12]:[c:11]:[c:10]:[c:9]:2-[C:7]-1=[O;D1;H0:8]>>O-[C@H;D3;+0:1](-[C:2])-[C:3].[O;D1;H0:4]=[C:5]1-[NH;D2;+0:6]-[C:7](=[O;D1;H0:8])-[c:9]2:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:2-1 3e5f201ae0ac5c8babd87c44ebeaeccc61d4003f67f56ea4bd48b0851de576aa [CH3:1][CH2:2][CH:3]([O:4][C:5]([CH3:6])=[O:7])[C@@H:8]1[CH2:9][C:10](=[O:11])[C@H:12]([n:13]2[c:14](=[O:15])[s:16][c:17]3[c:18]2[n:19][c:20]([NH2:21])[nH:22][c:23]3=[O:24])[O:25]1>C1CCOC1.CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C.[HH].[Li+]>[CH3:1][CH2:2][CH:3]([O:4][C:5]([CH3:6])=[O:7])[C@@H:8]1[CH2:9][C@H:10]([OH:11])[C@H:12]([n:13]2[c:14](=[O:15])[s:16][c:17]3[c:18]2[n:19][c:20]([NH2:21])[nH:22][c:23]3=[O:24])[O:25]1 YMPQGEBRNBTPIF-YELDHKJBSA-N>>ONQSMTMFFXEKNN-VDHZNEAKSA-N 0.0 Unrecognized False substrate controlled False [#8:1]-[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#8:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] acd65360c41d94aad84f54104b4be3e8d3b157bdb1eb571ebb7df7c4147c5c5e [CH2:1]=[CH:2][CH2:3][O:4][C:5]1([CH3:6])[CH2:7][CH2:8][N:9]([c:10]2[c:11]([C:12](=[O:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([CH3:19])[cH:20][c:21]3[n:22][c:23]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[cH:29][n:30]23)[CH2:31][CH2:32]1>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CC#N.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.O=C=O.[Na+]>[CH2:1]=[CH:2][CH2:3][O:4][C:5]1([CH3:6])[CH2:7][CH2:8][N:9]([c:10]2[c:11]([C@H:12]([OH:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([CH3:19])[cH:20][c:21]3[n:22][c:23]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[cH:29][n:30]23)[CH2:31][CH2:32]1 GRUZZCZNSSJZFB-UHFFFAOYSA-N>>WHBPXSSJZYJDMX-IBGZPJMESA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C;D1;H3:9]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C;D1;H3:9] f9603bb709a7c0e3aaaf72cc577b916cab7c3c32ccc7856e4656faff1d495ff4 [CH2:1]=[CH:2][CH2:3][O:4][C:5]1([CH3:6])[CH2:7][CH2:8][N:9]([c:10]2[c:11]([C:12](=[O:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([CH3:19])[cH:20][c:21]3[n:22][c:23](-[c:24]4[cH:25][c:26]([Br:27])[cH:28][cH:29][cH:30]4)[cH:31][n:32]23)[CH2:33][CH2:34]1>C=CCCC1(C)CCN(c2c([C@H](O)C(=O)OC)c(C)cc3nc(C(=O)OCC)cn23)CC1>[CH2:1]=[CH:2][CH2:3][O:4][C:5]1([CH3:6])[CH2:7][CH2:8][N:9]([c:10]2[c:11]([C@H:12]([OH:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([CH3:19])[cH:20][c:21]3[n:22][c:23](-[c:24]4[cH:25][c:26]([Br:27])[cH:28][cH:29][cH:30]4)[cH:31][n:32]23)[CH2:33][CH2:34]1 PBOUXHPIPXYHQM-UHFFFAOYSA-N>>XSOVKAZSDSSBLC-QHCPKHFHSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[OH;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C;D1;H3:9]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6](=[O;D1;H0:7])-[#8:8]-[C;D1;H3:9] f9603bb709a7c0e3aaaf72cc577b916cab7c3c32ccc7856e4656faff1d495ff4 I[CH3:25].[CH3:1][CH2:2][C@H:3]([O:4][Si:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[C:18]([CH3:19])([CH3:20])[CH3:21])[C@@H:22]1[CH2:23][CH2:24][C:26](=[O:27])[O:28]1>C1CCOC1.CC(C)NC(C)C.[Li+]>[CH3:1][CH2:2][C@H:3]([O:4][Si:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[C:18]([CH3:19])([CH3:20])[CH3:21])[C@@H:22]1[CH2:23][C@@H:24]([CH3:25])[C:26](=[O:27])[O:28]1 DHRMPAHIBGQZEL-SFTDATJTSA-N.INQOMBQAUSQDDS-UHFFFAOYSA-N>>CIIFJKBHJRFKSA-COPCDDAFSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C:3]1-[#8:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[CH3;D1;+0:1])-[C:8]-1>>I-[CH3;D1;+0:1].[C:2]-[C:3]1-[#8:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8]-1 a0232773ed6af598139386f4740639e73ee21eeadb57f264c3fcd32fc667b9f6 [CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH2:9][C@@H:10]1[CH2:11][C:12](=[O:13])[C@H:14]([n:15]2[c:16](=[O:17])[s:18][c:19]3[c:20]2[n:21][c:22]([NH2:23])[nH:24][c:25]3=[O:26])[O:27]1>C1CCOC1.CC(C)(C)O[Al](OC(C)(C)C)OC(C)(C)C.[HH].[Li+]>[CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH2:9][C@@H:10]1[CH2:11][C@H:12]([OH:13])[C@H:14]([n:15]2[c:16](=[O:17])[s:18][c:19]3[c:20]2[n:21][c:22]([NH2:23])[nH:24][c:25]3=[O:26])[O:27]1 BPALDLYPRMQOBE-ISVAXAHUSA-N>>VLGCZKDJKUHPLH-MWODSPESSA-N 0.0 Unrecognized False substrate controlled False [#8:1]-[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#8:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] acd65360c41d94aad84f54104b4be3e8d3b157bdb1eb571ebb7df7c4147c5c5e [CH2:5]1[CH2:6][C@@H:7]([CH2:8][O:9][Si:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[C:23]([CH3:24])([CH3:25])[CH3:26])[O:27][C:28]1=[O:29].[CH3:1][C:2]([CH3:3])=[O:4]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][C:2]([CH3:3])([OH:4])[C@@H:5]1[CH2:6][C@@H:7]([CH2:8][O:9][Si:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[C:23]([CH3:24])([CH3:25])[CH3:26])[O:27][C:28]1=[O:29] CSCPPACGZOOCGX-UHFFFAOYSA-N.LZDTYPTYCSPHBT-KRWDZBQOSA-N>>ZMCLCDFVYDIWGR-GHTZIAJQSA-N 0.0 Unrecognized False substrate controlled False [C:5]-[C:6]1-[#8:7]-[C:8](=[O;D1;H0:9])-[C@H;D3;+0:10](-[C;H0;D4;+0:2](-[C;D1;H3:1])(-[C;D1;H3:3])-[OH;D1;+0:4])-[C:11]-1>>[C;D1;H3:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4].[C:5]-[C:6]1-[#8:7]-[C:8](=[O;D1;H0:9])-[CH2;D2;+0:10]-[C:11]-1 66d2c68080f3549720e99f5460ce2b6af5866a62486b29f2a8b60972b6d7c96f [CH3:1][CH:2]([CH3:3])[CH2:4][CH2:5][CH2:6][C@@H:7]([CH3:8])[C@H:9]1[CH2:10][CH2:11][C@H:12]2[C:13]3=[C:14]([CH2:15][CH2:16][C@:17]12[CH3:18])[C@@:19]1([CH3:20])[CH2:21][CH2:22][C:23](=[O:24])[CH2:25][C@:26]1([C:27]#[N:28])[CH2:29][CH2:30]3>CCO.Cl.B.[Na+]>[CH3:1][CH:2]([CH3:3])[CH2:4][CH2:5][CH2:6][C@@H:7]([CH3:8])[C@H:9]1[CH2:10][CH2:11][C@H:12]2[C:13]3=[C:14]([CH2:15][CH2:16][C@:17]12[CH3:18])[C@@:19]1([CH3:20])[CH2:21][CH2:22][C@H:23]([OH:24])[CH2:25][C@:26]1([C:27]#[N:28])[CH2:29][CH2:30]3 FELNWXWLUVMXLB-BZVVGNHESA-N>>BDAXCMPLMOUKQC-HRBMOUKBSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 Br[C@H:5]([CH2:6][CH2:7][N:8]1[C:9](=[O:10])[CH2:11][CH2:12][C:13]1=[O:14])[C:15](=[O:16])[OH:17].[CH3:1][C:2]([OH:3])=[S:4]>CCOCC.CO.[K+]>[CH3:1][C:2](=[O:3])[S:4][C@@H:5]([CH2:6][CH2:7][N:8]1[C:9](=[O:10])[CH2:11][CH2:12][C:13]1=[O:14])[C:15](=[O:16])[OH:17] BMCHTNCLHDYXLI-RXMQYKEDSA-N.DUYAAUVXQSMXQP-UHFFFAOYSA-N>>CXAKGUIUGWUXHA-ZETCQYMHSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[S;H0;D2;+0:9]-[C;H0;D3;+0:7](-[C;D1;H3:6])=[O;H0;D1;+0:8])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>Br-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[C;D1;H3:6]-[C;H0;D3;+0:7](-[OH;D1;+0:8])=[S;H0;D1;+0:9] b462146b3f54be48bea64b24df7a464a41691c7466701d7e5454db696e32cb86 CC(=O)O[C@@H:8]1[O:7][CH2:6][C@@H:5]([O:4][C:2]([CH3:1])=[O:3])[C@@H:26]([O:27][C:28]([CH3:29])=[O:30])[C@H:21]1[O:22][C:23]([CH3:24])=[O:25].[n:9]1[cH:10][nH:11][c:12]2[c:13]1[cH:14][c:15]([Cl:16])[c:17]([Cl:18])[c:19]2[F:20]>C[Si](C)(C)OS(=O)(=O)C(F)(F)F.ClCCCl.O=C(O)O.[Na+]>[CH3:1][C:2](=[O:3])[O:4][C@@H:5]1[CH2:6][O:7][C@@H:8]([n:9]2[cH:10][n:11][c:12]3[c:13]2[cH:14][c:15]([Cl:16])[c:17]([Cl:18])[c:19]3[F:20])[C@H:21]([O:22][C:23]([CH3:24])=[O:25])[C@@H:26]1[O:27][C:28]([CH3:29])=[O:30] MJOQJPYNENPSSS-LPWJVIDDSA-N.NKIRIQOAHURVKX-UHFFFAOYSA-N>>VOYLOYXVYDAMTR-BDQAWRDZSA-N 0.0 Unrecognized False stereospecific False [C:6]-[#8:5]-[C:4]1-[C:3]-[#8:2]-[C@@H;D3;+0:1](-[n;H0;D3;+0:18]2:[c:17]:[n;H0;D2;+0:21]:[c:20]:[c:19]:2)-[C:12](-[#8:13]-[C:14](-[C;D1;H3:15])=[O;D1;H0:16])-[C:7]-1-[#8:8]-[C:9](-[C;D1;H3:10])=[O;D1;H0:11]>>C-C(=O)-O-[C@@H;D3;+0:1]1-[#8:2]-[C:3]-[C:4](-[#8:5]-[C:6])-[C:7](-[#8:8]-[C:9](-[C;D1;H3:10])=[O;D1;H0:11])-[C:12]-1-[#8:13]-[C:14](-[C;D1;H3:15])=[O;D1;H0:16].[c:17]1:[n;H0;D2;+0:18]:[c:19]:[c:20]:[nH;D2;+0:21]:1 ea071b2ee3956277028256d002f7dd8755f849b8932f2caf185543aafdf1fc36 O=[CH:3][CH2:2][CH3:1].[NH2:4][C@H:5]([C:6](=[O:7])[OH:8])[CH2:9][c:10]1[cH:11][nH:12][cH:13][n:14]1>CO.Cl.O.[Na+].O>[CH3:1][CH2:2][C@@H:3]1[NH:4][C@H:5]([C:6](=[O:7])[OH:8])[CH2:9][c:10]2[c:11]1[nH:12][cH:13][n:14]2 HNDVDQJCIGZPNO-YFKPBYRVSA-N.NBBJYMSMWIIQGU-UHFFFAOYSA-N>>GWPJNOGARJCNDK-FSPLSTOPSA-N 0.0 Unrecognized True substrate controlled False [nH;D2;+0:7]:[c;H0;D3;+0:6]1:[c;H0;D3;+0:5]-[CH2;D2;+0:4]-[C@H;D3;+0:3]-[NH;D2;+0:2]-[C@H;D3;+0:1]-1>>O=[CH;D2;+0:1].[NH2;D1;+0:2]-[C@H;D3;+0:3]-[CH2;D2;+0:4]-[c;H0;D3;+0:5]:[cH;D2;+0:6]:[nH;D2;+0:7] a09504bb4cd728df12a549a3c79bd02dc8c890127c8e2adcf85c5eec01e9da55 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][c:13]([F:14])[cH:15][c:16]([F:17])[cH:18]1)[C:19](=[O:20])[CH2:21][Br:22]>CCCCCC.CCOC(C)=O.B.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][c:13]([F:14])[cH:15][c:16]([F:17])[cH:18]1)[C@@H:19]([OH:20])[CH2:21][Br:22] YWFFRFOQMWZDGU-LBPRGKRZSA-N>>LSRAQBPILCOZGT-STQMWFEESA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [O:1]=[C:2]([CH2:3][Cl:4])[c:5]1[n:6][cH:7][cH:8][n:9][cH:10]1>CCN(CC)CC.CCN(CC)CC.CN(C)C=O.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)cc1.O=CO>[OH:1][C@H:2]([CH2:3][Cl:4])[c:5]1[n:6][cH:7][cH:8][n:9][cH:10]1 MUSVFUJCZKWUTI-UHFFFAOYSA-N>>UUDOAGGITCXZJP-ZCFIWIBFSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2](:[c:3]:[#7;a:4])-[C@@H;D3;+0:5](-[C:6])-[OH;D1;+0:7]>>[#7;a:1]:[c:2](:[c:3]:[#7;a:4])-[C;H0;D3;+0:5](-[C:6])=[O;H0;D1;+0:7] dc60a5a04610f6bbf1e9155a8b968e6a8da226590b78dd057754ee16f1a95056 [O:1]=[C:2]([CH2:3][Cl:4])[c:5]1[n:6][cH:7][cH:8][n:9][cH:10]1>CCN(CC)CC.CCN(CC)CC.CN(C)C=O.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)cc1.O=CO>[OH:1][C@H:2]([CH2:3][Cl:4])[c:5]1[n:6][cH:7][cH:8][n:9][cH:10]1 MUSVFUJCZKWUTI-UHFFFAOYSA-N>>UUDOAGGITCXZJP-ZCFIWIBFSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2](:[c:3]:[#7;a:4])-[C@H;D3;+0:5](-[C:6])-[OH;D1;+0:7]>>[#7;a:1]:[c:2](:[c:3]:[#7;a:4])-[C;H0;D3;+0:5](-[C:6])=[O;H0;D1;+0:7] 1d6046db8206bf06f418a551069f22ab5843622f925a903afc3a54b3c8d7193b [CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C:7](=[O:8])[CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([F:15])[cH:16][cH:17]1>B.C1CCOC1.CSC.OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C@@H:7]([OH:8])[CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([F:15])[cH:16][cH:17]1 BUCGFGPFUMAXIZ-UHFFFAOYSA-N>>WYSCUXUNMLEJCI-LBPRGKRZSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9] bbb21099eb294f3913c12c84d48034ae11437e90cc44c8c1465c22111b52afc6 [CH3:1][O:2][C:3](=[O:4])[CH2:5][C:6](=[O:7])[CH2:8][CH2:9][c:10]1[cH:11][c:12]([F:13])[cH:14][cH:15][cH:16]1>B.C1CCOC1.CSC.OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]([OH:7])[CH2:8][CH2:9][c:10]1[cH:11][c:12]([F:13])[cH:14][cH:15][cH:16]1 XDLNDEBMTCCAHB-UHFFFAOYSA-N>>YHUOXTPMWCMHBG-NSHDSACASA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8] 923f08f73bcf231a4469a783b476454dfc996b66619f88800e0679ca088598ce C[S+](C)(=O)[CH3:21].[CH3:1][C:2](=[O:3])[O:4][C@:5]1([C:6]([CH3:7])=[O:8])[CH2:9][CH2:10][C@H:11]2[C@@H:12]3[CH:13]=[C:14]([Cl:15])[C:16]4=[CH:17][C:18](=[O:19])[CH:20]=[CH:22][C@:23]4([CH3:24])[C@H:25]3[CH2:26][CH2:27][C@:28]12[CH3:29]>CS(C)=O.Cl.[HH].I.[Na+]>[CH3:1][C:2](=[O:3])[O:4][C@:5]1([C:6]([CH3:7])=[O:8])[CH2:9][CH2:10][C@H:11]2[C@@H:12]3[CH:13]=[C:14]([Cl:15])[C:16]4=[CH:17][C:18](=[O:19])[C@@H:20]5[CH2:21][C@@H:22]5[C@:23]4([CH3:24])[C@H:25]3[CH2:26][CH2:27][C@:28]12[CH3:29] CGBCCZZJVKUAMX-DFXBJWIESA-N.YRYSAWZMIRQUBO-UHFFFAOYSA-N>>UWFYSQMTEOIJJG-FDTZYFLXSA-N 0.0 Unrecognized True substrate controlled False [C@H;D3;+0:2]1-[C@H;D3;+0:3]-[CH2;D2;+0:1]-1>>C-[S+](-C)(=O)-[CH3;D1;+0:1].[CH;D2;+0:2]=[CH;D2;+0:3] 1bb40cf2de8afd30075f7d91d1dd3f655a9c9510bde1e422f481bb551980dd51 O[C@@H:11]([CH2:12][n:13]1[cH:14][cH:15][n:16][cH:17]1)[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[CH3:1][O:2][C:3](=[O:4])[CH2:5][S:6][CH2:7][c:8]1[c:9]([OH:10])[cH:24][cH:25][c:26]2[c:27]1[CH2:28][CH2:29][CH2:30][C:31]2=[O:32]>C1CCOC1.CCOC(=O)N=NC(=O)OCC.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][O:2][C:3](=[O:4])[CH2:5][S:6][CH2:7][c:8]1[c:9]([O:10][C@H:11]([CH2:12][n:13]2[cH:14][cH:15][n:16][cH:17]2)[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:24][cH:25][c:26]2[c:27]1[CH2:28][CH2:29][CH2:30][C:31]2=[O:32] IUVFODKLYJPTSL-UHFFFAOYSA-N.NTWZHQAXJSJOIB-NSHDSACASA-N>>JQKBZAULGHJSLA-XMMPIXPASA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de [O:1]=[C:2]1[C@H:3]([CH2:4][CH2:5][C:6](=[O:7])[c:8]2[cH:9][cH:10][c:11]([F:12])[cH:13][cH:14]2)[C@@H:15]([c:16]2[cH:17][cH:18][c:19]([CH2:20][C@@H:21]3[O:22][C@H:23]([CH2:24][OH:25])[C@@H:26]([OH:27])[C@H:28]([OH:29])[C@H:30]3[OH:31])[cH:32][cH:33]2)[N:34]1[c:35]1[cH:36][cH:37][c:38]([F:39])[cH:40][cH:41]1>ClCCl>[O:1]=[C:2]1[C@H:3]([CH2:4][CH2:5][C@H:6]([OH:7])[c:8]2[cH:9][cH:10][c:11]([F:12])[cH:13][cH:14]2)[C@@H:15]([c:16]2[cH:17][cH:18][c:19]([CH2:20][C@@H:21]3[O:22][C@H:23]([CH2:24][OH:25])[C@@H:26]([OH:27])[C@H:28]([OH:29])[C@H:30]3[OH:31])[cH:32][cH:33]2)[N:34]1[c:35]1[cH:36][cH:37][c:38]([F:39])[cH:40][cH:41]1 FFVXQUQMBSSQQK-ZJEYMOLOSA-N>>KNINYEIIBJWHKE-HMNIKNHISA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [O:1]=[C:2]([NH:3][C@@H:4]([CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[C:12](=[O:13])[CH2:14][Cl:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1>CC1=C(C)C(C)([Rh]Cl)C(C)=C1C.CCN(CC)CC.CCOC(C)=O.O=CO>[O:1]=[C:2]([NH:3][C@@H:4]([CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[C@H:12]([OH:13])[CH2:14][Cl:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1 CIHKEEALDXBGPE-HNNXBMFYSA-N>>COXPILFGANOJCO-JKSUJKDBSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 O[C@@H:6]1[c:7]2[c:8]([c:19]3[n:20][c:21]([CH2:22][O:23][CH3:24])[c:25]([CH3:26])[n:27]3[cH:28][cH:29]2)[NH:9][C@H:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[C@H:17]1[OH:18].[CH3:1][O:2][CH2:3][CH2:4][OH:5]>CS(=O)(=O)O.ClCCl>[CH3:1][O:2][CH2:3][CH2:4][O:5][C@H:6]1[c:7]2[c:8]([c:19]3[n:20][c:21]([CH2:22][O:23][CH3:24])[c:25]([CH3:26])[n:27]3[cH:28][cH:29]2)[NH:9][C@H:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[C@H:17]1[OH:18] KFSBHVQIWKBQBU-KBAYOESNSA-N.XNWFRZJHXBZDAG-UHFFFAOYSA-N>>WTPBGIJKCJUZQS-NRSPTQNISA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:5]-[C:4]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[C:4]-[OH;D1;+0:5] 8ef13bbf3dc8875f638aaf6c625be81274e191046cbc755203d8f4cffef2912d [CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C:7](=[O:8])[CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([F:15])[cH:16][cH:17]1>B.C1CCOC1.CSC.OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C@@H:7]([OH:8])[CH2:9][CH2:10][c:11]1[cH:12][cH:13][c:14]([F:15])[cH:16][cH:17]1 BUCGFGPFUMAXIZ-UHFFFAOYSA-N>>WYSCUXUNMLEJCI-LBPRGKRZSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9] 811c4d40f644988e478ae44f96428cdb9344f188862e684f75c42e22295e3173 [CH3:1][O:2][C:3](=[O:4])[CH2:5][C:6](=[O:7])[CH2:8][CH2:9][c:10]1[cH:11][c:12]([F:13])[cH:14][cH:15][cH:16]1>B.C1CCOC1.CSC.OC(c1ccccc1)(c1ccccc1)[C@@H]1CCCN1>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]([OH:7])[CH2:8][CH2:9][c:10]1[cH:11][c:12]([F:13])[cH:14][cH:15][cH:16]1 XDLNDEBMTCCAHB-UHFFFAOYSA-N>>YHUOXTPMWCMHBG-NSHDSACASA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8] 6d22697717f18276a46a829d2506058ec35ca7c95a696f7fd2a8edc46f88faeb [CH3:1][O:2][C:3](=[O:4])[N:5]1[CH2:6][C@@H:7]2[CH2:8][CH2:9][C:10](=[O:11])[CH2:12][C@H:13]2[CH2:14][C@H:15]1[C:16](=[O:17])[OH:18]>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.[Li+]>[CH3:1][O:2][C:3](=[O:4])[N:5]1[CH2:6][C@@H:7]2[CH2:8][CH2:9][C@H:10]([OH:11])[CH2:12][C@H:13]2[CH2:14][C@H:15]1[C:16](=[O:17])[OH:18] RICCPAMKOBPCLO-NRPADANISA-N>>SARMZTNCZVSBFY-XKNYDFJKSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 N[C@H:4]([C:2](=[O:1])[OH:3])[CH2:6][C:7]([F:8])([F:9])[CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[OH2:5]>O=NO.O=S(=O)(O)O.[Na+]>[O:1]=[C:2]([OH:3])[C@@H:4]([OH:5])[CH2:6][C:7]([F:8])([F:9])[CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1 SGUZJMYNTCMEOG-VIFPVBQESA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>ZXSHWDDJZJZNSH-VIFPVBQESA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[OH;D1;+0:6])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[OH2;D0;+0:6] 3b2930445911a30f6eef1993b611280cb26ac438bc2995944b0d46cd68ec10e9 O[C@@H:10]([CH2:11][CH2:12][I:13])[c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[N:1]#[C:2][c:3]1[cH:4][c:5]2[c:6]([s:7]1)[c:8]([OH:9])[cH:20][cH:21][c:22]2[F:23]>C1CCOC1>[N:1]#[C:2][c:3]1[cH:4][c:5]2[c:6]([s:7]1)[c:8]([O:9][C@H:10]([CH2:11][CH2:12][I:13])[c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[cH:20][cH:21][c:22]2[F:23] FGPCEVMDBSCUMO-VIFPVBQESA-N.XIBCWQPJVXEALF-UHFFFAOYSA-N>>AWCRTHGREZUWLK-MRXNPFEDSA-N 0.0 Unrecognized False stereospecific False [#16;a:4]:[c:5]:[c:6]-[O;H0;D2;+0:7]-[C@H;D3;+0:1](-[C:2])-[c:3]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[#16;a:4]:[c:5]:[c:6]-[OH;D1;+0:7] 90e2a5813f01d6cebccc282d34f6619c4b068baf7cca999a0ef1939b2ba1069f [CH3:1][CH2:2][O:3][C:4](=[O:5])[N:6]1[c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][c:16]2[C:17](=[O:18])[CH2:19][C@H:20]1[CH2:21][CH3:22]>C1CCOC1.CC(C)CB(CC(C)C)CC(C)C.CCC(C)B(C(C)CC)C(C)CC.[K+].[K+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[N:6]1[c:7]2[cH:8][cH:9][c:10]([C:11]([F:12])([F:13])[F:14])[cH:15][c:16]2[C@@H:17]([OH:18])[CH2:19][C@H:20]1[CH2:21][CH3:22] QPKMRSRKASMEAH-SNVBAGLBSA-N>>ZGFGTOZLZUVFHK-MFKMUULPSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [O:1]=[C:2]([CH2:3][Cl:4])[c:5]1[cH:6][cH:7][cH:8][n:9][cH:10]1>Cl.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO>[OH:1][C@H:2]([CH2:3][Cl:4])[c:5]1[cH:6][cH:7][cH:8][n:9][cH:10]1 RVOFYCMAWQUUEI-UHFFFAOYSA-N>>LCBCRIBFOZSPJL-SSDOTTSWSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 59818681547a35b540f5f8f7dbade1077a9ae258660c4149c86b99538d1ed2c0 [O:1]=[S:2](=[O:3])([O:4][c:5]1[cH:6][c:7]2[c:8]([cH:9][cH:10]1)[C:11](=[O:12])[CH2:13][CH2:14][CH2:15]2)[C:16]([F:17])([F:18])[F:19]>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[O:1]=[S:2](=[O:3])([O:4][c:5]1[cH:6][c:7]2[c:8]([cH:9][cH:10]1)[C@@H:11]([OH:12])[CH2:13][CH2:14][CH2:15]2)[C:16]([F:17])([F:18])[F:19] CRNSFSVRJRVRHP-UHFFFAOYSA-N>>GIOGPKALEFQXPV-JTQLQIEISA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c CS(=O)(=O)O[C@@H:2]([CH3:1])[CH2:3][CH2:4][CH2:5][CH2:6][n:7]1[c:8](=[O:9])[c:10]2[c:11]([n:12][c:13]([CH2:14][NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[nH:23]2)[n:24]([CH3:25])[c:26]1=[O:27].[N-:28]=[N+:29]=[N-:30]>CS(C)=O.[Na+]>[CH3:1][C@H:2]([CH2:3][CH2:4][CH2:5][CH2:6][n:7]1[c:8](=[O:9])[c:10]2[c:11]([n:12][c:13]([CH2:14][NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[nH:23]2)[n:24]([CH3:25])[c:26]1=[O:27])[N:28]=[N+:29]=[N-:30] AVMGZDUAVQKVHU-LBPRGKRZSA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>MMTMORGFGPXPGP-LLVKDONJSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 492c430f48d637aab0c971721cb4d8366eed9f75b9bf7a9ee5b238cfd7eb0d61 [O:1]=[C:2]([CH2:3][Cl:4])[c:5]1[cH:6][c:7]([Cl:8])[c:9]([Cl:10])[n:11][cH:12]1>C1CCOC1.CCOC(C)=O.C[C@H]1[C@H](B(Cl)[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C.O>[OH:1][C@@H:2]([CH2:3][Cl:4])[c:5]1[cH:6][c:7]([Cl:8])[c:9]([Cl:10])[n:11][cH:12]1 IQEYEZZDFLPGKY-UHFFFAOYSA-N>>JWVHQZLUKHERBM-LURJTMIESA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 8195ad48987c12d459870b75bedef46a37480b4c6c44771b180631aa2774a53a [O:1]=[S:2](=[O:3])([O:4][c:5]1[cH:6][c:7]2[c:8]([cH:9][cH:10]1)[C:11](=[O:12])[CH2:13][CH2:14][CH2:15]2)[C:16]([F:17])([F:18])[F:19]>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[O:1]=[S:2](=[O:3])([O:4][c:5]1[cH:6][c:7]2[c:8]([cH:9][cH:10]1)[C@@H:11]([OH:12])[CH2:13][CH2:14][CH2:15]2)[C:16]([F:17])([F:18])[F:19] CRNSFSVRJRVRHP-UHFFFAOYSA-N>>GIOGPKALEFQXPV-JTQLQIEISA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][O:2][C:3](=[O:4])[CH2:5][C@H:6]([OH:7])[CH2:8][C:9](=[O:10])[CH2:11][CH2:12][c:13]1[c:14](-[c:15]2[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]2)[c:22](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]([C:30](=[O:31])[NH:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[n:39]1[CH:40]([CH3:41])[CH3:42]>C1CCOC1.CC(=O)O.CCB(CC)OC.CO.B.[Na+]>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@H:6]([OH:7])[CH2:8][C@H:9]([OH:10])[CH2:11][CH2:12][c:13]1[c:14](-[c:15]2[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]2)[c:22](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]([C:30](=[O:31])[NH:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[n:39]1[CH:40]([CH3:41])[CH3:42] IGTBWDVYYZLFFF-MUUNZHRXSA-N>>BXAJSHJYAXODGM-VSGBNLITSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][O:2][C:3](=[O:4])[CH2:5][C@H:6]([OH:7])[CH2:8][C:9](=[O:10])[CH:11]=[CH:12][c:13]1[c:14](-[c:15]2[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]2)[c:22](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]([C:30](=[O:31])[NH:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[n:39]1[CH:40]([CH3:41])[CH3:42]>C1CCOC1.CC(=O)O.CCB(CC)OC.CO.B.[Na+]>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@H:6]([OH:7])[CH2:8][C@H:9]([OH:10])[CH:11]=[CH:12][c:13]1[c:14](-[c:15]2[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]2)[c:22](-[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[c:29]([C:30](=[O:31])[NH:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[n:39]1[CH:40]([CH3:41])[CH3:42] HTFMULIGYOWJGG-MUUNZHRXSA-N>>NSUFOUJNHRSRSJ-VSGBNLITSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[C:1]=[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 3d438d587d87521e60f8311dfb4f60605630598ea592a8172db481577c2b213e [CH3:1][CH2:2][n:3]1[c:4]([CH:5]=[CH:6][C:7](=[O:8])[CH2:9][C@@H:10]([OH:11])[CH2:12][C:13](=[O:14])[O:15][CH3:16])[c:17](-[c:18]2[cH:19][cH:20][c:21]([F:22])[cH:23][cH:24]2)[c:25]([CH:26]([CH3:27])[CH3:28])[c:29]1[C:30](=[O:31])[NH:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>C1CCOC1.CC(=O)O.CCB(CC)OC.CCOC(C)=O.CO.O=C=O.B.[Na+]>[CH3:1][CH2:2][n:3]1[c:4]([CH:5]=[CH:6][C@@H:7]([OH:8])[CH2:9][C@@H:10]([OH:11])[CH2:12][C:13](=[O:14])[O:15][CH3:16])[c:17](-[c:18]2[cH:19][cH:20][c:21]([F:22])[cH:23][cH:24]2)[c:25]([CH:26]([CH3:27])[CH3:28])[c:29]1[C:30](=[O:31])[NH:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1 AKHZPNKOMBHHIK-XMMPIXPASA-N>>NKCUKGZZWIUQNT-DNQXCXABSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[C:1]=[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 3d438d587d87521e60f8311dfb4f60605630598ea592a8172db481577c2b213e [CH3:1][O:2][C:3](=[O:4])[CH2:5][C@H:6]([OH:7])[CH2:8][C:9](=[O:10])[CH:11]=[CH:12][c:13]1[c:14](-[c:15]2[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]2)[c:22](-[c:23]2[cH:24][cH:25][c:26]([F:27])[cH:28][cH:29]2)[c:30]([C:31](=[O:32])[N:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[n:39]1[CH:40]([CH3:41])[CH3:42]>C1CCOC1.CC(=O)O.CCB(CC)OC.CO.B.[Na+]>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@H:6]([OH:7])[CH2:8][C@H:9]([OH:10])[CH:11]=[CH:12][c:13]1[c:14](-[c:15]2[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]2)[c:22](-[c:23]2[cH:24][cH:25][c:26]([F:27])[cH:28][cH:29]2)[c:30]([C:31](=[O:32])[N:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[n:39]1[CH:40]([CH3:41])[CH3:42] XHAQSXGNMDIJLE-HHHXNRCGSA-N>>QNQKQTPRMROKCG-KAYWLYCHSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[C:1]=[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 3d438d587d87521e60f8311dfb4f60605630598ea592a8172db481577c2b213e [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][c:11]([Br:12])[cH:13][cH:14]1>C1CCOC1.CCN(CC)CC.CCOCC.C[C@H]1[C@H](B(Cl)[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C.OCCNCCO>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C@H:6]([OH:7])[c:8]1[cH:9][cH:10][c:11]([Br:12])[cH:13][cH:14]1 MVLMRPWLTMFPJI-UHFFFAOYSA-N>>HKDUDKMREMRFAZ-LBPRGKRZSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c CS(=O)(=O)O[C@H:17]1[CH2:16][CH2:15][C@@H:14]([C@@H:5]([C:3]([O:2][CH3:1])=[O:4])[NH:6][C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:22][CH2:21]1.[N-:18]=[N+:19]=[N-:20]>CCOC(C)=O.CN(C)C=O.[Li+]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([NH:6][C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[C@H:14]1[CH2:15][CH2:16][C@H:17]([N:18]=[N+:19]=[N-:20])[CH2:21][CH2:22]1 AGXXFRJDJBKVCK-TUAOUCFPSA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>ULQZHHCSTVBGFV-DCAQKATOSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] e79cd9ff929b7823a9a1d3ebd47f2eb0444b747171361724dee4b1aadfcac2ef [CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]2[C:9](=[O:10])[CH2:11][CH2:12][C@@H:13]2/[CH:14]=[CH:15]/[C:16](=[O:17])[C:18]([F:19])([F:20])[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:27][cH:28]1>B1Oc2ccccc2O1.Cc1ccccc1.ClCCl>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]2[C:9](=[O:10])[CH2:11][CH2:12][C@@H:13]2/[CH:14]=[CH:15]/[C@@H:16]([OH:17])[C:18]([F:19])([F:20])[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:27][cH:28]1 YNBRPUSPVRQQOW-FUNAXGEOSA-N>>LIHODKDFPVNYKR-BPSKIFTJSA-N 0.0 Unrecognized False substrate controlled False [C:1]/[C:2]=[C:3]/[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[C:1]/[C:2]=[C:3]/[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] aa0c5d364c7b0880336e4d2a527b429971b8f795c3ee991061e4feff1f6058c0 O=[C:13]1[CH2:12][CH2:11][C@:10]2([c:9]3[c:7]([F:8])[c:4]([O:5][CH3:6])[c:3]([O:2][CH3:1])[cH:22][cH:21]3)[C@H:16]([CH2:15]1)[N:17]([CH3:18])[CH2:19][CH2:20]2.[NH3:14]>C1CCOC1.CC#N.O=C(O)C(F)(F)F.O=C(O)CCc1ccccc1.BC#N.[Na+].[Na+].O>[CH3:1][O:2][c:3]1[c:4]([O:5][CH3:6])[c:7]([F:8])[c:9]([C@@:10]23[CH2:11][CH2:12][C@@H:13]([NH2:14])[CH2:15][C@@H:16]2[N:17]([CH3:18])[CH2:19][CH2:20]3)[cH:21][cH:22]1 QGZKDVFQNNGYKY-UHFFFAOYSA-N.WUKCEEDERHIGLE-YOEHRIQHSA-N>>WCTORJRDBWGKLM-WHCBVINPSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C:3])-[NH2;D1;+0:4]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[NH3;D0;+0:4] 8901704ef38e64dfd20cf89f5ceba6f9e42cd6c809350433ad42200ceee7b9af O=[C:12]1[CH2:11][CH2:10][C@:9]2([c:8]3[cH:7][c:4]([O:5][CH3:6])[c:3]([O:2][CH3:1])[cH:24][cH:23]3)[C@H:15]([CH2:14]1)[N:16]([C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:21][CH2:22]2.[NH3:13]>COCCOC.O=C(O)CCc1ccccc1.O=C(O)C(F)(F)F.BC#N.[Na+]>[CH3:1][O:2][c:3]1[c:4]([O:5][CH3:6])[cH:7][c:8]([C@@:9]23[CH2:10][CH2:11][C@@H:12]([NH2:13])[CH2:14][C@@H:15]2[N:16]([C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:21][CH2:22]3)[cH:23][cH:24]1 QGZKDVFQNNGYKY-UHFFFAOYSA-N.WWUVVOGGGXFQLS-ICSRJNTNSA-N>>DRTLFJKRMWCBRW-BPAFIMBUSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C:3])-[NH2;D1;+0:4]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[NH3;D0;+0:4] 8901704ef38e64dfd20cf89f5ceba6f9e42cd6c809350433ad42200ceee7b9af [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][c:11]([Br:12])[cH:13][cH:14]1>C1CCOC1.CCN(CC)CC.CCOCC.C[C@H]1[C@H](B(Cl)[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C.OCCNCCO>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C@H:6]([OH:7])[c:8]1[cH:9][cH:10][c:11]([Br:12])[cH:13][cH:14]1 MVLMRPWLTMFPJI-UHFFFAOYSA-N>>HKDUDKMREMRFAZ-LBPRGKRZSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][C:2](=[O:3])[N:4]1[c:5]2[c:6]([cH:7][cH:8][n:9]3[cH:10][c:11]([CH3:12])[n:13][c:14]23)[C:15](=[O:16])[C@H:17]([O:18][C:19](=[O:20])[C:21]([CH3:22])([CH3:23])[CH3:24])[C@H:25]1[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>CC(C)O.CN(C)c1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1.Cl.BC#N.[Na+].[Na+]>[CH3:1][C:2](=[O:3])[N:4]1[c:5]2[c:6]([cH:7][cH:8][n:9]3[cH:10][c:11]([CH3:12])[n:13][c:14]23)[C@@H:15]([OH:16])[C@H:17]([O:18][C:19](=[O:20])[C:21]([CH3:22])([CH3:23])[CH3:24])[C@H:25]1[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1 MLOGTFUYPBRURT-WIYYLYMNSA-N>>UHBMBEKYSKCUKV-HMXCVIKNSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C:2](-[#8:3]-[C:4](=[O;D1;H0:5])-[C:6](-[C;D1;H3:7])(-[C;D1;H3:8])-[C;D1;H3:9])-[C@H;D3;+0:10](-[OH;D1;+0:11])-[c:12]>>[C:1]-[C:2](-[#8:3]-[C:4](=[O;D1;H0:5])-[C:6](-[C;D1;H3:7])(-[C;D1;H3:8])-[C;D1;H3:9])-[C;H0;D3;+0:10](=[O;H0;D1;+0:11])-[c:12] 68899baad5cf0e2e3a525805a9f485f52ac68e20b3b0e195d0570ec09d81a993 Br[Mg][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[CH3:1][C@@H:2]1[C@H:3]([c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9]2)[N:10]([C:11](=[O:12])/[CH:13]=[CH:14]/[c:21]2[cH:22][cH:23][c:24]([S:25]([CH3:26])(=[O:27])=[O:28])[cH:29][cH:30]2)[C:31](=[O:32])[N:33]1[CH3:34]>C1CCOC1.CCCC[B+]CCCC.CN(C)CCN(C)C.O=S(=O)(O)C(F)(F)F.[Cu]I>[CH3:1][C@@H:2]1[C@H:3]([c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9]2)[N:10]([C:11](=[O:12])[CH2:13][C@@H:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][c:24]([S:25]([CH3:26])(=[O:27])=[O:28])[cH:29][cH:30]2)[C:31](=[O:32])[N:33]1[CH3:34] ANRQGKOBLBYXFM-UHFFFAOYSA-M.WHYBNBWHBFQQDW-SOGAHWKTSA-N>>YGOOCADRTXFRTJ-YZXAJQSBSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C@@H;D3;+0:8](-[c:9])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>Br-[Mg]-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7:4]-[C:5](=[O;D1;H0:6])/[CH;D2;+0:7]=[CH;D2;+0:8]/[c:9] 60c054effc49b32d9c28785ecfbaa15579bd87fda419b117b8f0cd6720239d99 [CH3:1][CH:2]([CH3:3])[O:4][c:5]1[n:6][c:7]2[c:8]([s:9]1)[c:10]([C:11](=[O:12])[CH2:13][Cl:14])[cH:15][cH:16][c:17]2[O:18][C:19]([CH3:20])([CH3:21])[CH3:22]>C1CCOC1.N[C@@H]1c2ccccc2C[C@@H]1O>[CH3:1][CH:2]([CH3:3])[O:4][c:5]1[n:6][c:7]2[c:8]([s:9]1)[c:10]([C@@H:11]([OH:12])[CH2:13][Cl:14])[cH:15][cH:16][c:17]2[O:18][C:19]([CH3:20])([CH3:21])[CH3:22] PMEIZYGYOUQGFV-UHFFFAOYSA-N>>ONAXQTCFUURUFN-NSHDSACASA-N 0.0 Unrecognized False reagent controlled False [#16;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#16;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 610e51149fb24fc55c3b7d341967cddf460dc8529068ac786a593a0608a512b9 [CH3:1][CH:2]([CH3:3])[O:4][c:5]1[n:6][c:7]2[c:8]([s:9]1)[c:10]([C:11](=[O:12])[CH2:13][Cl:14])[cH:15][cH:16][c:17]2[O:18][C:19]([CH3:20])([CH3:21])[CH3:22]>B.C1CCOC1.N[C@H]1c2ccccc2C[C@H]1O>[CH3:1][CH:2]([CH3:3])[O:4][c:5]1[n:6][c:7]2[c:8]([s:9]1)[c:10]([C@H:11]([OH:12])[CH2:13][Cl:14])[cH:15][cH:16][c:17]2[O:18][C:19]([CH3:20])([CH3:21])[CH3:22] PMEIZYGYOUQGFV-UHFFFAOYSA-N>>ONAXQTCFUURUFN-LLVKDONJSA-N 0.0 Unrecognized False reagent controlled False [#16;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#16;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 81140bf5833526736f9b408e7c6e9600135a22457445673ebc0febc54d5161b4 Br[CH2:10][c:11]1[c:12]([F:13])[cH:14][cH:15][cH:16][c:17]1[F:18].[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:19](=[O:20])[O:21][C@H:22]([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[C@@H:29]1[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.O.[Na]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[C@@H:9]([CH2:10][c:11]2[c:12]([F:13])[cH:14][cH:15][cH:16][c:17]2[F:18])[C:19](=[O:20])[O:21][C@H:22]([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[C@@H:29]1[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1 LSXJPJGBWSZHTM-UHFFFAOYSA-N.MRUKRSQUUNYOFK-RBUKOAKNSA-N>>IBERQSVQLRUJNL-CCDWMCETSA-N 0.0 Unrecognized False substrate controlled False [C;D1;H3:3]-[C:4](-[C;D1;H3:5])(-[C;D1;H3:6])-[#8:7]-[C:8](=[O;D1;H0:9])-[#7:10]1-[C:22](-[c:23]2:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:2)-[C:15](-[c:16]2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2)-[#8:14]-[C:12](=[O;D1;H0:13])-[C@@H;D3;+0:11]-1-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[C;D1;H3:3]-[C:4](-[C;D1;H3:5])(-[C;D1;H3:6])-[#8:7]-[C:8](=[O;D1;H0:9])-[#7:10]1-[CH2;D2;+0:11]-[C:12](=[O;D1;H0:13])-[#8:14]-[C:15](-[c:16]2:[c:17]:[c:18]:[c:19]:[c:20]:[c:21]:2)-[C:22]-1-[c:23]1:[c:24]:[c:25]:[c:26]:[c:27]:[c:28]:1 28ac4c46adc34074aaf8b84a7a31c542e0ef1b86319757e7951fb0d4e05789ab Br[CH2:21][C:19]([c:18]1[cH:17][cH:16][c:7]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[c:6]([NH:5][S:2]([CH3:1])(=[O:3])=[O:4])[cH:32]1)=[O:20].[NH2:22][C@H:23]([CH2:24][OH:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>CCN(C(C)C)C(C)C.CN(C)C=O>[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[c:7]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:16][cH:17][c:18]([C@@H:19]([OH:20])[CH2:21][NH:22][C@H:23]([CH2:24][OH:25])[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:32]1 IJXJGQCXFSSHNL-MRVPVSSYSA-N.MSZJJGHZRBKVHQ-UHFFFAOYSA-N>>SOXJPFAEBAWRDZ-PKTZIBPZSA-N 0.0 Unrecognized False substrate controlled False [OH;D1;+0:3]-[C@H;D3;+0:2](-[c:4])-[CH2;D2;+0:1]-[NH;D2;+0:5]-[C:6]-[c:7]1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1>>Br-[CH2;D2;+0:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4].[NH2;D1;+0:5]-[C:6]-[c:7]1:[c:8]:[c:9]:[c:10]:[c:11]:[c:12]:1 a4bd83568895df73add8bca590ff8889cf0ba3cd22864a9e323e50190e72ef3e I[CH3:13].[CH3:1][CH:2]([CH3:3])[C@H:4]1[CH2:5][O:6][C:7](=[O:8])[N:9]1[C:10](=[O:11])[CH2:12][c:14]1[cH:15][cH:16][c:17]([F:18])[cH:19][cH:20]1>C1CCOC1.CC(=O)O.CCOCC.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[CH3:1][CH:2]([CH3:3])[C@H:4]1[CH2:5][O:6][C:7](=[O:8])[N:9]1[C:10](=[O:11])[C@@H:12]([CH3:13])[c:14]1[cH:15][cH:16][c:17]([F:18])[cH:19][cH:20]1 INQOMBQAUSQDDS-UHFFFAOYSA-N.ZWLNCTBDMYQMFG-GFCCVEGCSA-N>>UAJKGWBFSKTFFG-GXFFZTMASA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[CH3;D1;+0:1])-[c:6]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[c:6] 392eb33aa7db2786e7965885f1d27e0768cd68e2a2f31bb6600bca5f4293b06f I[CH3:13].[CH3:1][CH:2]([CH3:3])[C@H:4]1[CH2:5][O:6][C:7](=[O:8])[N:9]1[C:10](=[O:11])[CH2:12][c:14]1[cH:15][cH:16][c:17]([Cl:18])[cH:19][cH:20]1>C1CCOC1.CC(=O)O.CCOCC.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[CH3:1][CH:2]([CH3:3])[C@H:4]1[CH2:5][O:6][C:7](=[O:8])[N:9]1[C:10](=[O:11])[C@@H:12]([CH3:13])[c:14]1[cH:15][cH:16][c:17]([Cl:18])[cH:19][cH:20]1 FSHVJTKFPOQDIF-GFCCVEGCSA-N.INQOMBQAUSQDDS-UHFFFAOYSA-N>>OILDITVHEUJZSA-GXFFZTMASA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[CH3;D1;+0:1])-[c:6]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[c:6] 392eb33aa7db2786e7965885f1d27e0768cd68e2a2f31bb6600bca5f4293b06f I[CH3:13].[CH3:1][CH:2]([CH3:3])[C@@H:4]1[CH2:5][O:6][C:7](=[O:8])[N:9]1[C:10](=[O:11])[CH2:12][c:14]1[cH:15][cH:16][c:17]([F:18])[cH:19][cH:20]1>C1CCOC1.CC(=O)O.CCOCC.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[CH3:1][CH:2]([CH3:3])[C@@H:4]1[CH2:5][O:6][C:7](=[O:8])[N:9]1[C:10](=[O:11])[C@H:12]([CH3:13])[c:14]1[cH:15][cH:16][c:17]([F:18])[cH:19][cH:20]1 INQOMBQAUSQDDS-UHFFFAOYSA-N.ZWLNCTBDMYQMFG-LBPRGKRZSA-N>>UAJKGWBFSKTFFG-MFKMUULPSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[CH3;D1;+0:1])-[c:6]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[c:6] 4408f97d137a726e1ab3843c13949afd149d8ae22ca196aabdfd63f64c9b350a I[CH3:13].[CH3:1][CH:2]([CH3:3])[C@@H:4]1[CH2:5][O:6][C:7](=[O:8])[N:9]1[C:10](=[O:11])[CH2:12][c:14]1[cH:15][cH:16][c:17]([Cl:18])[cH:19][cH:20]1>C1CCOC1.CC(=O)O.CCOCC.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[CH3:1][CH:2]([CH3:3])[C@@H:4]1[CH2:5][O:6][C:7](=[O:8])[N:9]1[C:10](=[O:11])[C@H:12]([CH3:13])[c:14]1[cH:15][cH:16][c:17]([Cl:18])[cH:19][cH:20]1 FSHVJTKFPOQDIF-LBPRGKRZSA-N.INQOMBQAUSQDDS-UHFFFAOYSA-N>>OILDITVHEUJZSA-MFKMUULPSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[CH3;D1;+0:1])-[c:6]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[c:6] 4408f97d137a726e1ab3843c13949afd149d8ae22ca196aabdfd63f64c9b350a [CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH2:7][CH2:8][C:9](=[O:10])[c:11]2[cH:12][c:13]([CH:14]=[CH:15][c:16]3[n:17][c:18]4[cH:19][c:20]([Cl:21])[cH:22][cH:23][c:24]4[cH:25][cH:26]3)[cH:27][cH:28][cH:29]2)[cH:30][cH:31][cH:32][cH:33]1>CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1.[Na+]>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH2:7][CH2:8][C@H:9]([OH:10])[c:11]2[cH:12][c:13]([CH:14]=[CH:15][c:16]3[n:17][c:18]4[cH:19][c:20]([Cl:21])[cH:22][cH:23][c:24]4[cH:25][cH:26]3)[cH:27][cH:28][cH:29]2)[cH:30][cH:31][cH:32][cH:33]1 INXATVZSQVIIHJ-UHFFFAOYSA-N>>KPCSDMZEMDMWKQ-MHZLTWQESA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][C@@H:2]([CH2:3][c:4]1[cH:5][c:6]([C:7]([CH3:8])=[O:9])[cH:10][cH:11][cH:12]1)[NH:13][C:14](=[O:15])[O:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1>C1CCOC1.Cc1ccccc1>[CH3:1][C@@H:2]([CH2:3][c:4]1[cH:5][c:6]([C@@H:7]([CH3:8])[OH:9])[cH:10][cH:11][cH:12]1)[NH:13][C:14](=[O:15])[O:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1 QSVGSENUVMSYQS-AWEZNQCLSA-N>>MUPLNNBNTCPPSN-LSDHHAIUSA-N 0.0 Unrecognized False substrate controlled False [C;D1;H3:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH2:8].[CH:9](=[CH2:10])[c:12]1[cH:13][c:14]([Br:15])[cH:16][cH:17][cH:18]1.[OH2:11]>CC(C)(C)OCl.CCCO.CC[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@H](Oc1nnc(O[C@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@@H]3CCN2C[C@@H]3CC)c2ccccc12)c1ccnc2ccc(OC)cc12.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@H:9]([CH2:10][OH:11])[c:12]1[cH:13][c:14]([Br:15])[cH:16][cH:17][cH:18]1 KQJQPCJDKBKSLV-UHFFFAOYSA-N.LFKDJXLFVYVEFG-UHFFFAOYSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>CYSVECFBQRKMKO-LLVKDONJSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C:2](-[C;D1;H3:3])(-[C;D1;H3:4])-[#8:5]-[C:6](=[O;D1;H0:8])-[NH;D2;+0:7]-[C@@H;D3;+0:10](-[c:11])-[CH2;D2;+0:9]-[OH;D1;+0:12]>>[C;D1;H3:1]-[C:2](-[C;D1;H3:3])(-[C;D1;H3:4])-[#8:5]-[C:6](-[NH2;D1;+0:7])=[O;D1;H0:8].[CH2;D1;+0:9]=[CH;D2;+0:10]-[c:11].[OH2;D0;+0:12] aae5153bef107c08d210289cbf3d876e68a9d42a6363bc1226bee59d8d75d1b7 CS(=O)(=O)O[C@H:16]([CH2:15][CH2:14][O:13][c:12]1[cH:11][c:9]([CH3:10])[c:8]([S:7][CH2:6][C:4]([O:3][CH2:2][CH3:1])=[O:5])[cH:35][cH:34]1)[CH3:17].[OH:18][c:19]1[c:20]([C:21](=[O:22])[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:29][c:30]([CH3:31])[cH:32][cH:33]1>CN(C)C=O.Cl.O.O=C(O)O.[Cs+].[Cs+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][S:7][c:8]1[c:9]([CH3:10])[cH:11][c:12]([O:13][CH2:14][CH2:15][C@@H:16]([CH3:17])[O:18][c:19]2[c:20]([C:21](=[O:22])[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[cH:29][c:30]([CH3:31])[cH:32][cH:33]2)[cH:34][cH:35]1 OQERFUGURPLBQH-UHFFFAOYSA-N.XUTNAMGAXWLQKL-ZDUSSCGKSA-N>>VRTPJPVAMZADAB-JOCHJYFZSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[O;H0;D2;+0:4]-[c:5]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[OH;D1;+0:4]-[c:5] 7ed7682f4493f97b7c1c2dde061ce8acff81cc19d8ac2d445e8c8af1e56d9132 CS(=O)(=O)O[C@H:16]([CH2:15][CH2:14][O:13][c:12]1[cH:11][c:9]([CH3:10])[c:8]([S:7][CH2:6][C:4]([O:3][CH2:2][CH3:1])=[O:5])[cH:39][cH:38]1)[CH3:17].[OH:18][c:19]1[c:20]([C:21](=[O:22])[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:29][c:30]([O:31][C:32]([F:33])([F:34])[F:35])[cH:36][cH:37]1>CN(C)C=O.Cl.O.O=C(O)O.[Cs+].[Cs+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][S:7][c:8]1[c:9]([CH3:10])[cH:11][c:12]([O:13][CH2:14][CH2:15][C@@H:16]([CH3:17])[O:18][c:19]2[c:20]([C:21](=[O:22])[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[cH:29][c:30]([O:31][C:32]([F:33])([F:34])[F:35])[cH:36][cH:37]2)[cH:38][cH:39]1 NPWJSRCIKLCWIQ-UHFFFAOYSA-N.XUTNAMGAXWLQKL-ZDUSSCGKSA-N>>ZEWBUTWXHRLWOF-HXUWFJFHSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[O;H0;D2;+0:4]-[c:5]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[OH;D1;+0:4]-[c:5] 7ed7682f4493f97b7c1c2dde061ce8acff81cc19d8ac2d445e8c8af1e56d9132 CS(=O)(=O)O[C@@H:15]([CH3:16])[CH2:17][CH2:18][O:19][c:20]1[cH:21][c:22]([CH3:23])[c:24]([CH2:25][CH2:26][C:27](=[O:28])[O:29][CH3:30])[cH:31][cH:32]1.[CH3:1][CH2:2][c:3]1[cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[c:13]([OH:14])[cH:33][cH:34]1>CN(C)C=O.Cl.O.O=C(O)O.[Cs+].[Cs+]>[CH3:1][CH2:2][c:3]1[cH:4][c:5]([O:6][c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[c:13]([O:14][C@H:15]([CH3:16])[CH2:17][CH2:18][O:19][c:20]2[cH:21][c:22]([CH3:23])[c:24]([CH2:25][CH2:26][C:27](=[O:28])[O:29][CH3:30])[cH:31][cH:32]2)[cH:33][cH:34]1 BUZGAXGYPNOEGL-ZDUSSCGKSA-N.ZCGGKXFDQCZQOJ-UHFFFAOYSA-N>>BCNHKWJQHXAGNL-JOCHJYFZSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[O;H0;D2;+0:4]-[c:5]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[OH;D1;+0:4]-[c:5] 7ed7682f4493f97b7c1c2dde061ce8acff81cc19d8ac2d445e8c8af1e56d9132 CS(=O)(=O)O[C@@H:12]([CH3:13])[CH2:14][CH2:15][O:16][c:17]1[cH:18][c:19]([CH3:20])[c:21]([CH2:22][CH2:23][C:24](=[O:25])[O:26][CH3:27])[cH:28][cH:29]1.[CH2:1]=[C:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[c:9]1[c:10]([OH:11])[cH:30][cH:31][c:32]([CH2:33][CH3:34])[cH:35]1>CN(C)C=O.Cl.O.O=C(O)O.[Cs+].[Cs+]>[CH2:1]=[C:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[c:9]1[c:10]([O:11][C@H:12]([CH3:13])[CH2:14][CH2:15][O:16][c:17]2[cH:18][c:19]([CH3:20])[c:21]([CH2:22][CH2:23][C:24](=[O:25])[O:26][CH3:27])[cH:28][cH:29]2)[cH:30][cH:31][c:32]([CH2:33][CH3:34])[cH:35]1 BUZGAXGYPNOEGL-ZDUSSCGKSA-N.SHJGLZYWSOCZGF-UHFFFAOYSA-N>>WXSIBEQBILVHEC-HSZRJFAPSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[O;H0;D2;+0:4]-[c:5]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[OH;D1;+0:4]-[c:5] 7ed7682f4493f97b7c1c2dde061ce8acff81cc19d8ac2d445e8c8af1e56d9132 CS(=O)(=O)O[C@@H:17]([CH3:18])[CH2:19][CH2:20][O:21][c:22]1[cH:23][c:24]([CH3:25])[c:26]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH3:32])[cH:33][cH:34]1.[CH3:1][CH2:2][c:3]1[cH:4][c:5]([C:6]([CH3:7])([CH3:8])[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[c:15]([OH:16])[cH:35][cH:36]1>CN(C)C=O.Cl.O.O=C(O)O.[Cs+].[Cs+]>[CH3:1][CH2:2][c:3]1[cH:4][c:5]([C:6]([CH3:7])([CH3:8])[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[c:15]([O:16][C@H:17]([CH3:18])[CH2:19][CH2:20][O:21][c:22]2[cH:23][c:24]([CH3:25])[c:26]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH3:32])[cH:33][cH:34]2)[cH:35][cH:36]1 BUZGAXGYPNOEGL-ZDUSSCGKSA-N.NYBZKSOSCRNASK-UHFFFAOYSA-N>>UCGZHTJZDWDGPR-XMMPIXPASA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[O;H0;D2;+0:4]-[c:5]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[OH;D1;+0:4]-[c:5] 7ed7682f4493f97b7c1c2dde061ce8acff81cc19d8ac2d445e8c8af1e56d9132 CS(=O)(=O)O[C@H:15]([CH2:14][CH2:13][O:12][c:11]1[cH:10][c:8]([CH3:9])[c:7]([CH2:6][CH2:5][C:3]([O:2][CH3:1])=[O:4])[cH:34][cH:33]1)[CH3:16].[OH:17][c:18]1[c:19]([C:20](=[O:21])[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:28][c:29]([CH3:30])[cH:31][cH:32]1>CN(C)C=O.Cl.O.O=C(O)O.[Cs+].[Cs+]>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][c:7]1[c:8]([CH3:9])[cH:10][c:11]([O:12][CH2:13][CH2:14][C@@H:15]([CH3:16])[O:17][c:18]2[c:19]([C:20](=[O:21])[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[cH:28][c:29]([CH3:30])[cH:31][cH:32]2)[cH:33][cH:34]1 BUZGAXGYPNOEGL-ZDUSSCGKSA-N.OQERFUGURPLBQH-UHFFFAOYSA-N>>NRLZQSUQWCICGA-JOCHJYFZSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[O;H0;D2;+0:4]-[c:5]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[OH;D1;+0:4]-[c:5] 7ed7682f4493f97b7c1c2dde061ce8acff81cc19d8ac2d445e8c8af1e56d9132 [CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH2:7][CH2:8][C:9](=[O:10])[c:11]2[cH:12][c:13]([CH:14]=[CH:15][c:16]3[n:17][c:18]4[cH:19][c:20]([Cl:21])[cH:22][cH:23][c:24]4[cH:25][cH:26]3)[cH:27][cH:28][cH:29]2)[cH:30][cH:31][cH:32][cH:33]1>CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1.[Na+]>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([CH2:7][CH2:8][C@H:9]([OH:10])[c:11]2[cH:12][c:13]([CH:14]=[CH:15][c:16]3[n:17][c:18]4[cH:19][c:20]([Cl:21])[cH:22][cH:23][c:24]4[cH:25][cH:26]3)[cH:27][cH:28][cH:29]2)[cH:30][cH:31][cH:32][cH:33]1 INXATVZSQVIIHJ-UHFFFAOYSA-N>>KPCSDMZEMDMWKQ-MHZLTWQESA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH2:8].[CH:9](=[CH2:10])[c:12]1[cH:13][c:14]([Br:15])[cH:16][cH:17][cH:18]1.[OH2:11]>CC(C)(C)OCl.CCCO.CC[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@H](Oc1nnc(O[C@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@@H]3CCN2C[C@@H]3CC)c2ccccc12)c1ccnc2ccc(OC)cc12.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@H:9]([CH2:10][OH:11])[c:12]1[cH:13][c:14]([Br:15])[cH:16][cH:17][cH:18]1 KQJQPCJDKBKSLV-UHFFFAOYSA-N.LFKDJXLFVYVEFG-UHFFFAOYSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>CYSVECFBQRKMKO-LLVKDONJSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C:2](-[C;D1;H3:3])(-[C;D1;H3:4])-[#8:5]-[C:6](=[O;D1;H0:8])-[NH;D2;+0:7]-[C@H;D3;+0:10](-[c:11])-[CH2;D2;+0:9]-[OH;D1;+0:12]>>[C;D1;H3:1]-[C:2](-[C;D1;H3:3])(-[C;D1;H3:4])-[#8:5]-[C:6](-[NH2;D1;+0:7])=[O;D1;H0:8].[CH2;D1;+0:9]=[CH;D2;+0:10]-[c:11].[OH2;D0;+0:12] 21218503391db966623da5924c24cc0d35bfef20d204ea2afe0bf7e296e7bfec CS(=O)(=O)O[C@H:15]([CH2:14][CH2:13][O:12][c:11]1[cH:10][c:8]([CH3:9])[c:7]([CH2:6][CH2:5][C:3]([O:2][CH3:1])=[O:4])[cH:30][cH:29]1)[CH3:16].[OH:17][c:18]1[c:19]([Br:20])[cH:21][c:22]([C:23]([F:24])([F:25])[F:26])[cH:27][cH:28]1>CN(C)C=O.Cl.O.O=C(O)O.[Cs+].[Cs+]>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:6][c:7]1[c:8]([CH3:9])[cH:10][c:11]([O:12][CH2:13][CH2:14][C@@H:15]([CH3:16])[O:17][c:18]2[c:19]([Br:20])[cH:21][c:22]([C:23]([F:24])([F:25])[F:26])[cH:27][cH:28]2)[cH:29][cH:30]1 BUZGAXGYPNOEGL-ZDUSSCGKSA-N.DTEDKIRYMYDIGO-UHFFFAOYSA-N>>DSNLQVAJOYHYOF-OAHLLOKOSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[O;H0;D2;+0:4]-[c:5]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[OH;D1;+0:4]-[c:5] 7ed7682f4493f97b7c1c2dde061ce8acff81cc19d8ac2d445e8c8af1e56d9132 CS(=O)(=O)O[C@@H:17]([CH2:16][CH2:15][S:14][c:13]1[cH:12][c:9]([CH2:10][CH3:11])[c:8]([CH2:7][CH2:6][C:4]([O:3][CH2:2][CH3:1])=[O:5])[cH:33][cH:32]1)[CH3:18].[OH:19][c:20]1[c:21]([Br:22])[cH:23][c:24]([O:25][C:26]([F:27])([F:28])[F:29])[cH:30][cH:31]1>CN(C)C=O.O=C(O)O.[Cs+].[Cs+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][CH2:7][c:8]1[c:9]([CH2:10][CH3:11])[cH:12][c:13]([S:14][CH2:15][CH2:16][C@H:17]([CH3:18])[O:19][c:20]2[c:21]([Br:22])[cH:23][c:24]([O:25][C:26]([F:27])([F:28])[F:29])[cH:30][cH:31]2)[cH:32][cH:33]1 ODDDWKMFNVPZJZ-CQSZACIVSA-N.YHSCBQZMCFSTGL-UHFFFAOYSA-N>>CMFYYMVGOCNARZ-INIZCTEOSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[O;H0;D2;+0:4]-[c:5]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[OH;D1;+0:4]-[c:5] 292d15ae9da813c7c8cd4a4bfe3d5f016c1690852b473fcdf8122e6b1d28b6dc CS(=O)(=O)O[C@@H:15]([CH3:16])[CH2:17][CH2:18][O:19][c:20]1[c:21]([O:22][c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:29][c:30]([Cl:31])[cH:32][cH:33]1.[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][CH2:7][c:8]1[c:9]([CH2:10][CH3:11])[cH:12][c:13]([OH:14])[cH:34][cH:35]1>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][CH2:7][c:8]1[c:9]([CH2:10][CH3:11])[cH:12][c:13]([O:14][C@H:15]([CH3:16])[CH2:17][CH2:18][O:19][c:20]2[c:21]([O:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[cH:29][c:30]([Cl:31])[cH:32][cH:33]2)[cH:34][cH:35]1 DQRGLCLEGSZGSN-UHFFFAOYSA-N.ZFBMHVGTZXXKIN-ZDUSSCGKSA-N>>HDQSQKIRACZQGG-OAQYLSRUSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[O;H0;D2;+0:4]-[c:5]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[OH;D1;+0:4]-[c:5] 7ed7682f4493f97b7c1c2dde061ce8acff81cc19d8ac2d445e8c8af1e56d9132 CS(=O)(=O)O[C@@H:17]([CH2:16][CH2:15][O:14][c:13]1[cH:12][c:9]([CH2:10][CH3:11])[c:8]([CH2:7][CH2:6][C:4]([O:3][CH2:2][CH3:1])=[O:5])[cH:37][cH:36]1)[CH3:18].[OH:19][c:20]1[c:21]([O:22][c:23]2[c:24]([CH3:25])[cH:26][c:27]([F:28])[cH:29][cH:30]2)[cH:31][c:32]([Cl:33])[cH:34][cH:35]1>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][CH2:7][c:8]1[c:9]([CH2:10][CH3:11])[cH:12][c:13]([O:14][CH2:15][CH2:16][C@H:17]([CH3:18])[O:19][c:20]2[c:21]([O:22][c:23]3[c:24]([CH3:25])[cH:26][c:27]([F:28])[cH:29][cH:30]3)[cH:31][c:32]([Cl:33])[cH:34][cH:35]2)[cH:36][cH:37]1 JCUSXNHZYCOFRU-UHFFFAOYSA-N.XYTJEZIOBCCVME-CQSZACIVSA-N>>RPLYVIZILYWJPU-NRFANRHFSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[O;H0;D2;+0:4]-[c:5]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[OH;D1;+0:4]-[c:5] 292d15ae9da813c7c8cd4a4bfe3d5f016c1690852b473fcdf8122e6b1d28b6dc CS(=O)(=O)O[C@@H:12]([CH2:11][CH2:10][S:9][c:8]1[cH:7][c:6]([CH2:5][C:3]([O:2][CH3:1])=[O:4])[cH:33][cH:32][cH:31]1)[CH3:13].[OH:14][c:15]1[c:16](-[c:17]2[n:18][cH:19][cH:20][cH:21][n:22]2)[cH:23][c:24]([C:25]([F:26])([F:27])[F:28])[cH:29][cH:30]1>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][c:6]1[cH:7][c:8]([S:9][CH2:10][CH2:11][C@H:12]([CH3:13])[O:14][c:15]2[c:16](-[c:17]3[n:18][cH:19][cH:20][cH:21][n:22]3)[cH:23][c:24]([C:25]([F:26])([F:27])[F:28])[cH:29][cH:30]2)[cH:31][cH:32][cH:33]1 XBYJWPWCQITPSN-LLVKDONJSA-N.YSIARNLRKHKSKE-UHFFFAOYSA-N>>PDKUHJZTMKXAHQ-INIZCTEOSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[O;H0;D2;+0:4]-[c:5]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[OH;D1;+0:4]-[c:5] 292d15ae9da813c7c8cd4a4bfe3d5f016c1690852b473fcdf8122e6b1d28b6dc CS(=O)(=O)O[C@@H:12]([CH2:11][CH2:10][S:9][c:8]1[cH:7][c:6]([CH2:5][C:3]([O:2][CH3:1])=[O:4])[cH:35][cH:34][cH:33]1)[CH3:13].[OH:14][c:15]1[c:16]([O:17][c:18]2[cH:19][cH:20][c:21]([F:22])[cH:23][cH:24]2)[cH:25][c:26]([C:27]([F:28])([F:29])[F:30])[cH:31][cH:32]1>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][c:6]1[cH:7][c:8]([S:9][CH2:10][CH2:11][C@H:12]([CH3:13])[O:14][c:15]2[c:16]([O:17][c:18]3[cH:19][cH:20][c:21]([F:22])[cH:23][cH:24]3)[cH:25][c:26]([C:27]([F:28])([F:29])[F:30])[cH:31][cH:32]2)[cH:33][cH:34][cH:35]1 BUELFHUORSXAQW-UHFFFAOYSA-N.XBYJWPWCQITPSN-LLVKDONJSA-N>>YUTXVJVTGXLHOW-KRWDZBQOSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[O;H0;D2;+0:4]-[c:5]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[OH;D1;+0:4]-[c:5] 292d15ae9da813c7c8cd4a4bfe3d5f016c1690852b473fcdf8122e6b1d28b6dc CS(=O)(=O)O[C@@H:17]([CH2:16][CH2:15][O:14][c:13]1[cH:12][c:9]([CH2:10][CH3:11])[c:8]([CH2:7][CH2:6][C:4]([O:3][CH2:2][CH3:1])=[O:5])[cH:37][cH:36]1)[CH3:18].[OH:19][c:20]1[c:21]([O:22][c:23]2[c:24]([CH3:25])[cH:26][cH:27][cH:28][cH:29]2)[cH:30][c:31]([CH2:32][CH3:33])[cH:34][cH:35]1>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][CH2:7][c:8]1[c:9]([CH2:10][CH3:11])[cH:12][c:13]([O:14][CH2:15][CH2:16][C@H:17]([CH3:18])[O:19][c:20]2[c:21]([O:22][c:23]3[c:24]([CH3:25])[cH:26][cH:27][cH:28][cH:29]3)[cH:30][c:31]([CH2:32][CH3:33])[cH:34][cH:35]2)[cH:36][cH:37]1 JLWSTZCKSHJRGJ-UHFFFAOYSA-N.XYTJEZIOBCCVME-CQSZACIVSA-N>>JPWGMTZARVDODY-DEOSSOPVSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[O;H0;D2;+0:4]-[c:5]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[OH;D1;+0:4]-[c:5] 292d15ae9da813c7c8cd4a4bfe3d5f016c1690852b473fcdf8122e6b1d28b6dc CS(=O)(=O)O[C@@H:17]([CH2:16][CH2:15][O:14][c:13]1[cH:12][c:9]([CH2:10][CH3:11])[c:8]([CH2:7][CH2:6][C:4]([O:3][CH2:2][CH3:1])=[O:5])[cH:40][cH:39]1)[CH3:18].[OH:19][c:20]1[c:21]([O:22][c:23]2[c:24]([CH3:25])[cH:26][cH:27][cH:28][cH:29]2)[cH:30][c:31]([O:32][C:33]([F:34])([F:35])[F:36])[cH:37][cH:38]1>>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][CH2:7][c:8]1[c:9]([CH2:10][CH3:11])[cH:12][c:13]([O:14][CH2:15][CH2:16][C@H:17]([CH3:18])[O:19][c:20]2[c:21]([O:22][c:23]3[c:24]([CH3:25])[cH:26][cH:27][cH:28][cH:29]3)[cH:30][c:31]([O:32][C:33]([F:34])([F:35])[F:36])[cH:37][cH:38]2)[cH:39][cH:40]1 MAQBMZQVXHLRIX-UHFFFAOYSA-N.XYTJEZIOBCCVME-CQSZACIVSA-N>>AXUIQAMNTBTPEH-QFIPXVFZSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[O;H0;D2;+0:4]-[c:5]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[OH;D1;+0:4]-[c:5] 292d15ae9da813c7c8cd4a4bfe3d5f016c1690852b473fcdf8122e6b1d28b6dc [CH3:1][C@:2]12[CH2:3][C:4](=[O:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C:10]4=[CH:11][C:12](=[O:13])[CH:14]=[CH:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@:21]2([OH:22])[C:23](=[O:24])[CH2:25][OH:26]>C1CCOC1.CC#N.CN(C)c1ccccn1.CO.ClCCl.OCCN(CCO)CCO>[CH3:1][C@:2]12[CH2:3][C@H:4]([OH:5])[C@H:6]3[C@@H:7]([CH2:8][CH2:9][C:10]4=[CH:11][C:12](=[O:13])[CH:14]=[CH:15][C@:16]34[CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@:21]2([OH:22])[C:23](=[O:24])[CH2:25][OH:26] XOFYZVNMUHMLCC-ZPOLXVRWSA-N>>OIGNJSKKLXVSLS-VWUMJDOOSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 O[C@@H:6]1[c:7]2[c:8]([c:19]3[c:20]([cH:21][cH:22]2)[n:23]([CH3:24])[c:25]([CH3:26])[n:27]3)[NH:9][C@H:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[C@H:17]1[OH:18].[CH3:1][O:2][CH2:3][CH2:4][OH:5]>O=C(O)O.O=S(=O)(O)O.[Na+]>[CH3:1][O:2][CH2:3][CH2:4][O:5][C@H:6]1[c:7]2[c:8]([c:19]3[c:20]([cH:21][cH:22]2)[n:23]([CH3:24])[c:25]([CH3:26])[n:27]3)[NH:9][C@H:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[C@H:17]1[OH:18] CJYTVAFPQVBWAW-ZTFGCOKTSA-N.XNWFRZJHXBZDAG-UHFFFAOYSA-N>>VQMJKJXLXYVTPM-UIFIKXQLSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:5]-[C:4]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[C:4]-[OH;D1;+0:5] 8ef13bbf3dc8875f638aaf6c625be81274e191046cbc755203d8f4cffef2912d O[C@@H:4]1[c:5]2[c:6]([c:17]3[c:18]([cH:19][cH:20]2)[n:21]([CH3:22])[c:23]([CH3:24])[n:25]3)[NH:7][C@H:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[C@H:15]1[OH:16].[CH3:1][CH2:2][OH:3]>O=C(O)O.O=S(=O)(O)O.[Na+]>[CH3:1][CH2:2][O:3][C@H:4]1[c:5]2[c:6]([c:17]3[c:18]([cH:19][cH:20]2)[n:21]([CH3:22])[c:23]([CH3:24])[n:25]3)[NH:7][C@H:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[C@H:15]1[OH:16] CJYTVAFPQVBWAW-ZTFGCOKTSA-N.LFQSCWFLJHTTHZ-UHFFFAOYSA-N>>RVIVNUWTIJZFEH-AHRSYUTCSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:5]-[C:4]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[C:4]-[OH;D1;+0:5] 8ef13bbf3dc8875f638aaf6c625be81274e191046cbc755203d8f4cffef2912d [CH3:1][c:2]1[n:3][c:4]2[c:5]([cH:6][cH:7][c:8]3[c:9]2[NH:10][C@H:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[C@@H:18]([OH:19])[C:20]3=[O:21])[n:22]1[CH3:23]>B.CO.[Na]>[CH3:1][c:2]1[n:3][c:4]2[c:5]([cH:6][cH:7][c:8]3[c:9]2[NH:10][C@H:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[C@@H:18]([OH:19])[C@@H:20]3[OH:21])[n:22]1[CH3:23] MMRGALPMXRWNMP-RDTXWAMCSA-N>>CJYTVAFPQVBWAW-ZTFGCOKTSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][c:2]1[n:3][c:4]2[c:5]([cH:6][cH:7][c:8]3[c:9]2[NH:10][C@H:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[C@@H:18]([OH:19])[C:20]3=[O:21])[n:22]1[CH3:23]>B.CO.[Na]>[CH3:1][c:2]1[n:3][c:4]2[c:5]([cH:6][cH:7][c:8]3[c:9]2[NH:10][C@H:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[C@@H:18]([OH:19])[C@H:20]3[OH:21])[n:22]1[CH3:23] MMRGALPMXRWNMP-RDTXWAMCSA-N>>CJYTVAFPQVBWAW-FHLIZLRMSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][c:2]1[n:3][c:4]2[c:5]([cH:6][cH:7][c:8]3[c:9]2[NH:10][C@H:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[C@@H:18]([OH:19])[C:20]3=[O:21])[nH:22]1>B.CO.[Na]>[CH3:1][c:2]1[n:3][c:4]2[c:5]([cH:6][cH:7][c:8]3[c:9]2[NH:10][C@H:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[C@@H:18]([OH:19])[C@@H:20]3[OH:21])[nH:22]1 AWQNFOSVMILBBH-CXAGYDPISA-N>>JISUGCZFTRQRTK-KBRIMQKVSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c N[C@@H:5]([CH2:4][CH:2]([CH3:1])[CH3:3])[C:7](=[O:8])[OH:9].[BrH:6]>O.O=NO.[Na+]>[CH3:1][CH:2]([CH3:3])[CH2:4][C@H:5]([Br:6])[C:7](=[O:8])[OH:9] CPELXLSAUQHCOX-UHFFFAOYSA-N.ROHFNLRQFUQHCH-YFKPBYRVSA-N>>NNFDHJQLIFECSR-YFKPBYRVSA-N 0.0 Unrecognized False stereospecific False [Br;H0;D1;+0:6]-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[BrH;D0;+0:6] 725b99ce5395867b212156ab1585cf7caca701dd3055539d65ad5fa62af6db35 [CH3:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([Cl:8])[cH:9][cH:10]1>CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CO.CSC.Cl.ClCCl>[CH3:1][C@@H:2]([OH:3])[c:4]1[cH:5][cH:6][c:7]([Cl:8])[cH:9][cH:10]1 BUZYGTVTZYSBCU-UHFFFAOYSA-N>>MVOSNPUNXINWAD-ZCFIWIBFSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [C@@H:4]1([c:5]2[cH:6][cH:7][cH:8][cH:9][cH:10]2)[C@@H:11]([CH2:13][OH:14])[O:12]1.[O:1]=[C:2]1[NH:3][c:15]2[cH:16][cH:17][c:18]([Cl:19])[cH:20][c:21]2[C:22]12[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2>CC(C)O.CC(C)O.CC(C)O.CC(C)O.CN(C)C=O.O=C1Cc2ccccc2N1.[HH].[Na+].[Na].[Ti+4]>[O:1]=[C:2]1[N:3]([C@@H:4]([c:5]2[cH:6][cH:7][cH:8][cH:9][cH:10]2)[C@H:11]([OH:12])[CH2:13][OH:14])[c:15]2[cH:16][cH:17][c:18]([Cl:19])[cH:20][c:21]2[C:22]12[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2 CWSSFAXMOLXUHI-UHFFFAOYSA-N.PVALSANGMFRTQM-RKDXNWHRSA-N>>QCJYSKFVQNTPNY-UXHICEINSA-N 0.0 Unrecognized False stereospecific False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C@@H;D3;+0:4](-[N;H0;D3;+0:14](-[c:15])-[C:12](-[C:11])=[O;D1;H0:13])-[c:5]1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1>>[C:1]-[C@H;D3;+0:2]1-[O;H0;D2;+0:3]-[C@@H;D3;+0:4]-1-[c:5]1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1.[C:11]-[C:12](=[O;D1;H0:13])-[NH;D2;+0:14]-[c:15] a0be62f0d92447631144dc73385f212b50a5268f5d2cc96a7ee9d31a69b3ff7f [C@@H:7]1([c:8]2[cH:9][c:10]([F:11])[cH:12][c:13]([F:14])[cH:15]2)[C@@H:16]([CH2:18][OH:19])[O:17]1.[CH3:1][C:2]1([CH3:3])[C:4](=[O:5])[NH:6][c:20]2[c:21]([F:22])[cH:23][cH:24][cH:25][c:26]21>CC(C)O.CC(C)O.CC(C)O.CC(C)O.CN(C)C=O.O=C1Cc2ccccc2N1.[HH].[Na+].[Na].[Ti+4]>[CH3:1][C:2]1([CH3:3])[C:4](=[O:5])[N:6]([C@@H:7]([c:8]2[cH:9][c:10]([F:11])[cH:12][c:13]([F:14])[cH:15]2)[C@H:16]([OH:17])[CH2:18][OH:19])[c:20]2[c:21]([F:22])[cH:23][cH:24][cH:25][c:26]21 SPKDBPUOKLXGPF-UHFFFAOYSA-N.YORFSLFWJOJGMN-RKDXNWHRSA-N>>NDQPMOCXBXIUAD-CVEARBPZSA-N 0.0 Unrecognized False stereospecific False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C@@H;D3;+0:4](-[N;H0;D3;+0:14](-[c:15])-[C:12](-[C:11])=[O;D1;H0:13])-[c:5]1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1>>[C:1]-[C@H;D3;+0:2]1-[O;H0;D2;+0:3]-[C@@H;D3;+0:4]-1-[c:5]1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1.[C:11]-[C:12](=[O;D1;H0:13])-[NH;D2;+0:14]-[c:15] a0be62f0d92447631144dc73385f212b50a5268f5d2cc96a7ee9d31a69b3ff7f [C@@H:7]1([c:8]2[cH:9][c:10]([Cl:11])[cH:12][cH:13][cH:14]2)[C@@H:15]([CH2:17][OH:18])[O:16]1.[CH3:1][C:2]1([CH3:3])[C:4](=[O:5])[NH:6][c:19]2[c:20]([F:21])[cH:22][cH:23][cH:24][c:25]21>CC(C)O.CC(C)O.CC(C)O.CC(C)O.CN(C)C=O.O=C1Cc2ccccc2N1.[HH].[Na+].[Na].[Ti+4]>[CH3:1][C:2]1([CH3:3])[C:4](=[O:5])[N:6]([C@@H:7]([c:8]2[cH:9][c:10]([Cl:11])[cH:12][cH:13][cH:14]2)[C@H:15]([OH:16])[CH2:17][OH:18])[c:19]2[c:20]([F:21])[cH:22][cH:23][cH:24][c:25]21 CBVIYQISIWXPFD-RKDXNWHRSA-N.SPKDBPUOKLXGPF-UHFFFAOYSA-N>>SBLJUKDVPPYPGG-CVEARBPZSA-N 0.0 Unrecognized False stereospecific False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C@@H;D3;+0:4](-[N;H0;D3;+0:14](-[c:15])-[C:12](-[C:11])=[O;D1;H0:13])-[c:5]1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1>>[C:1]-[C@H;D3;+0:2]1-[O;H0;D2;+0:3]-[C@@H;D3;+0:4]-1-[c:5]1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1.[C:11]-[C:12](=[O;D1;H0:13])-[NH;D2;+0:14]-[c:15] a0be62f0d92447631144dc73385f212b50a5268f5d2cc96a7ee9d31a69b3ff7f [C@@H:7]1([c:8]2[cH:9][c:10]([Cl:11])[cH:12][c:13]([F:14])[cH:15]2)[C@@H:16]([CH2:18][OH:19])[O:17]1.[CH3:1][C:2]1([CH3:3])[C:4](=[O:5])[NH:6][c:20]2[c:21]([F:22])[cH:23][cH:24][cH:25][c:26]21>CC(C)O.CC(C)O.CC(C)O.CC(C)O.CN(C)C=O.O=C1Cc2ccccc2N1.[HH].[Na+].[Na].[Ti+4]>[CH3:1][C:2]1([CH3:3])[C:4](=[O:5])[N:6]([C@@H:7]([c:8]2[cH:9][c:10]([Cl:11])[cH:12][c:13]([F:14])[cH:15]2)[C@H:16]([OH:17])[CH2:18][OH:19])[c:20]2[c:21]([F:22])[cH:23][cH:24][cH:25][c:26]21 KCSDSWWWEUZPNA-RKDXNWHRSA-N.SPKDBPUOKLXGPF-UHFFFAOYSA-N>>KKJIBDHQMBGBDF-CVEARBPZSA-N 0.0 Unrecognized False stereospecific False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C@@H;D3;+0:4](-[N;H0;D3;+0:14](-[c:15])-[C:12](-[C:11])=[O;D1;H0:13])-[c:5]1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1>>[C:1]-[C@H;D3;+0:2]1-[O;H0;D2;+0:3]-[C@@H;D3;+0:4]-1-[c:5]1:[c:6]:[c:7]:[c:8]:[c:9]:[c:10]:1.[C:11]-[C:12](=[O;D1;H0:13])-[NH;D2;+0:14]-[c:15] a0be62f0d92447631144dc73385f212b50a5268f5d2cc96a7ee9d31a69b3ff7f CC(C)c1cc(C(C)C)c(S(=O)(=O)[N:7]=[N+:8]=[N-:9])c(C(C)C)c1.[CH3:1][Si:2]([CH3:3])([CH3:4])[CH2:5][CH2:6][C:10](=[O:11])[N:12]1[C:13](=[O:14])[O:15][CH2:16][C@@H:17]1[CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1>C1CCOC1.CC(=O)O.C[Si](C)(C)N[Si](C)(C)C.Cl.[K+]>[CH3:1][Si:2]([CH3:3])([CH3:4])[CH2:5][C@H:6]([N:7]=[N+:8]=[N-:9])[C:10](=[O:11])[N:12]1[C:13](=[O:14])[O:15][CH2:16][C@@H:17]1[CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1 AEMWUHCKKDPRSK-UHFFFAOYSA-N.ZRNQCDKFWIHBPE-AWEZNQCLSA-N>>AJUJHMYBMZRJTC-KBPBESRZSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]>>C-C(-C)-c1:c:c(-C(-C)-C):c(-S(=O)(=O)-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]):c(-C(-C)-C):c:1.[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 5d62210582e8509f7297b5a975afcc5b3dde53629231d99da0265d38e21e8265 [O:1]=[S:2](=[O:3])([NH:4][c:5]1[cH:6][c:7]([C:8](=[O:9])[CH2:10][Cl:11])[cH:12][cH:13][cH:14]1)[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1>C1CCOC1.C[C@@H]1[C@@H]2C[C@@H](C[C@H]1B(Cl)[C@@H]1C[C@@H]3C[C@H]([C@H]1C)C3(C)C)C2(C)C>[O:1]=[S:2](=[O:3])([NH:4][c:5]1[cH:6][c:7]([C@@H:8]([OH:9])[CH2:10][Cl:11])[cH:12][cH:13][cH:14]1)[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1 CNNKSAPYROLGGF-UHFFFAOYSA-N>>FKUGXHFAIZQGCX-AWEZNQCLSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c O=S1(=O)O[C@@H:23]([CH3:24])[CH2:25][N:26]1[C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33].[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][c:10]([O:11][Si:12]([CH3:13])([CH3:14])[C:15]([CH3:16])([CH3:17])[CH3:18])[cH:19][cH:20][c:21]2[nH:22]1>CC(C)(C)O.[K+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[cH:9][c:10]([O:11][Si:12]([CH3:13])([CH3:14])[C:15]([CH3:16])([CH3:17])[CH3:18])[cH:19][cH:20][c:21]2[n:22]1[C@H:23]([CH3:24])[CH2:25][NH:26][C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33] DYGROMUCWACWBU-UHFFFAOYSA-N.ZGFOJWQAHCHOLG-LURJTMIESA-N>>JDQYFBDUZKQQQD-QGZVFWFLSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:12]-[C:13]-[#8:14]-[C:15](=[O;D1;H0:16])-[c:17]:[n;H0;D3;+0:18](:[c:19])-[C@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[NH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11]>>O=S1(=O)-O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[N;H0;D3;+0:4]-1-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[C;D1;H3:12]-[C:13]-[#8:14]-[C:15](=[O;D1;H0:16])-[c:17]:[nH;D2;+0:18]:[c:19] ba1d9fbd1693f2ed34667b47ba2f4e68adb021700718e638376e0ac889fb782b O=[C:12]1[CH2:11][CH2:10][C@:9]2([c:8]3[cH:7][c:4]([O:5][CH3:6])[c:3]([O:2][CH3:1])[cH:21][cH:20]3)[C@H:15]([CH2:14]1)[CH2:16][N:17]([CH3:18])[CH2:19]2.[NH3:13]>CO.BC#N.[Na+]>[CH3:1][O:2][c:3]1[c:4]([O:5][CH3:6])[cH:7][c:8]([C@@:9]23[CH2:10][CH2:11][C@@H:12]([NH2:13])[CH2:14][C@@H:15]2[CH2:16][N:17]([CH3:18])[CH2:19]3)[cH:20][cH:21]1 KNNVXVXJHXOKMV-DYVFJYSZSA-N.QGZKDVFQNNGYKY-UHFFFAOYSA-N>>ROEPIERLQXNMIV-CPUCHLNUSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C:3])-[NH2;D1;+0:4]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[NH3;D0;+0:4] 8901704ef38e64dfd20cf89f5ceba6f9e42cd6c809350433ad42200ceee7b9af [CH3:1][C:2](=[O:3])[c:4]1[n:5][c:6]([C:7]([CH3:8])([CH3:9])[O:10][SiH2:11][C:12]([CH3:13])([CH3:14])[CH3:15])[cH:16][cH:17][cH:18]1>B.C1CCOC1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.Cc1ccccc1>[CH3:1][C@@H:2]([OH:3])[c:4]1[n:5][c:6]([C:7]([CH3:8])([CH3:9])[O:10][SiH2:11][C:12]([CH3:13])([CH3:14])[CH3:15])[cH:16][cH:17][cH:18]1 MFRXLKQOFGWCMD-UHFFFAOYSA-N>>KDTNVZUOIRVCGF-SNVBAGLBSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]-[C@@H;D3;+0:3](-[C;D1;H3:4])-[OH;D1;+0:5]>>[#7;a:1]:[c:2]-[C;H0;D3;+0:3](-[C;D1;H3:4])=[O;H0;D1;+0:5] 4672cc10e7f17fd78b474dab59cad4434e7eecbb4579adc8c4c1468d077e6b1e Br[CH2:12][c:13]1[cH:14][cH:15][c:16]([Br:17])[cH:18][cH:19]1.[CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH2:9][CH2:10][CH2:11][C:20](=[O:21])[N:22]1[C:23](=[O:24])[O:25][CH2:26][C@@H:27]1[CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH2:9][CH2:10][C@H:11]([CH2:12][c:13]1[cH:14][cH:15][c:16]([Br:17])[cH:18][cH:19]1)[C:20](=[O:21])[N:22]1[C:23](=[O:24])[O:25][CH2:26][C@@H:27]1[CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1 FNNZFAGGRZSAMM-KRWDZBQOSA-N.YLRBJYMANQKEAW-UHFFFAOYSA-N>>FEOUBQYCHYUOGN-VWNXMTODSA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4](=[O;D1;H0:5])-[C@H;D3;+0:6](-[C:7])-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]-[C:4](=[O;D1;H0:5])-[CH2;D2;+0:6]-[C:7] f717a6f7d6abee5c7b03fb4673a3b91b5ec7e0735b8ea8d36594621e43988384 [C@H:3]12[C@H:4]([OH:5])[C@@H:6]([CH2:7][OH:8])[O:9][C@H:10]1[n:11]1[cH:12][c:13]([CH3:14])[c:15](=[O:16])[n:17][c:18]1[O:19]2.[CH3:1][OH:2]>COB(OC)OC.O=C(O)O.[Na+]>[CH3:1][O:2][C@@H:3]1[C@H:4]([OH:5])[C@@H:6]([CH2:7][OH:8])[O:9][C@H:10]1[n:11]1[cH:12][c:13]([CH3:14])[c:15](=[O:16])[nH:17][c:18]1=[O:19] OKKJLVBELUTLKV-UHFFFAOYSA-N.WLLOAUCNUMYOQI-JAGXHNFQSA-N>>YHRRPHCORALGKQ-FDDDBJFASA-N 0.0 Unrecognized False stereospecific False [#8:1]-[C:2](-[#7;a:3]:[c;H0;D3;+0:4](=[O;H0;D1;+0:7]):[nH;D2;+0:5]:[c:6])-[C@@H;D3;+0:8](-[C:9])-[O;H0;D2;+0:11]-[C;D1;H3:10]>>[#8:1]-[C:2]1-[#7;a:3]:[c;H0;D3;+0:4](:[n;H0;D2;+0:5]:[c:6])-[O;H0;D2;+0:7]-[C@H;D3;+0:8]-1-[C:9].[C;D1;H3:10]-[OH;D1;+0:11] 0e5b5316728b7b81a418cdf5b4ac5188ea9d168a0d0f43fb6241b09403ec4dc7 O[C@@H:6]1[C:4](=[O:5])[O:9][CH2:8][CH2:7]1.[CH3:1][NH:2][CH3:3].[OH:10][c:11]1[c:12]2[c:13]([cH:14][cH:15][cH:16]1)[n:17][cH:18][n:19][c:20]2[NH:21][c:22]1[cH:23][c:24]([Cl:25])[c:26]([O:27][CH2:28][c:29]2[n:30][cH:31][cH:32][cH:33][cH:34]2)[cH:35][cH:36]1>C1CCOC1>[CH3:1][N:2]([CH3:3])[C:4](=[O:5])[C@@H:6]([CH2:7][CH2:8][OH:9])[O:10][c:11]1[c:12]2[c:13]([cH:14][cH:15][cH:16]1)[n:17][cH:18][n:19][c:20]2[NH:21][c:22]1[cH:23][c:24]([Cl:25])[c:26]([O:27][CH2:28][c:29]2[n:30][cH:31][cH:32][cH:33][cH:34]2)[cH:35][cH:36]1 ABEVQSYKFNUPKK-UHFFFAOYSA-N.FWIBCWKHNZBDLS-VKHMYHEASA-N.ROSDSFDQCJNGOL-UHFFFAOYSA-N>>UFOUYPHVNFLZQT-HSZRJFAPSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:7]-[N;H0;D3;+0:8](-[C;D1;H3:9])-[C;H0;D3;+0:5](=[O;D1;H0:6])-[C@@H;D3;+0:1](-[C:2]-[C:3]-[OH;D1;+0:4])-[O;H0;D2;+0:10]-[c:11]>>O-[C@H;D3;+0:1]1-[C:2]-[C:3]-[O;H0;D2;+0:4]-[C;H0;D3;+0:5]-1=[O;D1;H0:6].[C;D1;H3:7]-[NH;D2;+0:8]-[C;D1;H3:9].[OH;D1;+0:10]-[c:11] bd1db685c217f5259d55a0e968c6be3892dbdc397ccb1fe5e8bed018e1e37fc2 O[C@@H:8]1[C:6](=[O:7])[O:11][CH2:10][CH2:9]1.[CH3:1][NH:2][CH2:3][CH2:4][OH:5].[OH:12][c:13]1[c:14]2[c:15]([cH:16][cH:17][cH:18]1)[n:19][cH:20][n:21][c:22]2[NH:23][c:24]1[cH:25][c:26]([Cl:27])[c:28]([O:29][CH2:30][c:31]2[n:32][cH:33][cH:34][cH:35][cH:36]2)[cH:37][cH:38]1>>[CH3:1][N:2]([CH2:3][CH2:4][OH:5])[C:6](=[O:7])[C@@H:8]([CH2:9][CH2:10][OH:11])[O:12][c:13]1[c:14]2[c:15]([cH:16][cH:17][cH:18]1)[n:19][cH:20][n:21][c:22]2[NH:23][c:24]1[cH:25][c:26]([Cl:27])[c:28]([O:29][CH2:30][c:31]2[n:32][cH:33][cH:34][cH:35][cH:36]2)[cH:37][cH:38]1 ABEVQSYKFNUPKK-UHFFFAOYSA-N.FWIBCWKHNZBDLS-VKHMYHEASA-N.OPKOKAMJFNKNAS-UHFFFAOYSA-N>>WVPHLDMWUKZQRT-XMMPIXPASA-N 0.0 Unrecognized False stereospecific False [C:7]-[N;H0;D3;+0:8](-[C;D1;H3:9])-[C;H0;D3;+0:5](=[O;D1;H0:6])-[C@@H;D3;+0:1](-[C:2]-[C:3]-[OH;D1;+0:4])-[O;H0;D2;+0:10]-[c:11]>>O-[C@H;D3;+0:1]1-[C:2]-[C:3]-[O;H0;D2;+0:4]-[C;H0;D3;+0:5]-1=[O;D1;H0:6].[C:7]-[NH;D2;+0:8]-[C;D1;H3:9].[OH;D1;+0:10]-[c:11] bd1db685c217f5259d55a0e968c6be3892dbdc397ccb1fe5e8bed018e1e37fc2 O[C@@H:3]1[C:2](=[O:1])[O:6][CH2:5][CH2:4]1.[NH:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1.[OH:7][c:8]1[c:9]2[c:10]([cH:11][cH:12][cH:13]1)[n:14][cH:15][n:16][c:17]2[NH:18][c:19]1[cH:20][c:21]([Cl:22])[c:23]([O:24][CH2:25][c:26]2[n:27][cH:28][cH:29][cH:30][cH:31]2)[cH:32][cH:33]1>>[O:1]=[C:2]([C@@H:3]([CH2:4][CH2:5][OH:6])[O:7][c:8]1[c:9]2[c:10]([cH:11][cH:12][cH:13]1)[n:14][cH:15][n:16][c:17]2[NH:18][c:19]1[cH:20][c:21]([Cl:22])[c:23]([O:24][CH2:25][c:26]2[n:27][cH:28][cH:29][cH:30][cH:31]2)[cH:32][cH:33]1)[N:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1 ABEVQSYKFNUPKK-UHFFFAOYSA-N.FWIBCWKHNZBDLS-VKHMYHEASA-N.YNAVUWVOSKDBBP-UHFFFAOYSA-N>>KXKMLDJBINFBMA-RUZDIDTESA-N 0.0 Unrecognized False stereospecific False [C:7]-[N;H0;D3;+0:8](-[C:9])-[C;H0;D3;+0:5](=[O;D1;H0:6])-[C@@H;D3;+0:1](-[C:2]-[C:3]-[OH;D1;+0:4])-[O;H0;D2;+0:10]-[c:11]>>O-[C@H;D3;+0:1]1-[C:2]-[C:3]-[O;H0;D2;+0:4]-[C;H0;D3;+0:5]-1=[O;D1;H0:6].[C:7]-[NH;D2;+0:8]-[C:9].[OH;D1;+0:10]-[c:11] bd1db685c217f5259d55a0e968c6be3892dbdc397ccb1fe5e8bed018e1e37fc2 O[C@@H:3]1[C:2](=[O:1])[O:6][CH2:5][CH2:4]1.[NH:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[OH:7][c:8]1[c:9]2[c:10]([cH:11][cH:12][cH:13]1)[n:14][cH:15][n:16][c:17]2[NH:18][c:19]1[cH:20][c:21]([Cl:22])[c:23]([O:24][CH2:25][c:26]2[n:27][cH:28][cH:29][cH:30][cH:31]2)[cH:32][cH:33]1>>[O:1]=[C:2]([C@@H:3]([CH2:4][CH2:5][OH:6])[O:7][c:8]1[c:9]2[c:10]([cH:11][cH:12][cH:13]1)[n:14][cH:15][n:16][c:17]2[NH:18][c:19]1[cH:20][c:21]([Cl:22])[c:23]([O:24][CH2:25][c:26]2[n:27][cH:28][cH:29][cH:30][cH:31]2)[cH:32][cH:33]1)[N:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1 ABEVQSYKFNUPKK-UHFFFAOYSA-N.FWIBCWKHNZBDLS-VKHMYHEASA-N.RWRDLPDLKQPQOW-UHFFFAOYSA-N>>CBUHIHJVWPRZBD-RUZDIDTESA-N 0.0 Unrecognized False stereospecific False [C:7]-[N;H0;D3;+0:8](-[C:9])-[C;H0;D3;+0:5](=[O;D1;H0:6])-[C@@H;D3;+0:1](-[C:2]-[C:3]-[OH;D1;+0:4])-[O;H0;D2;+0:10]-[c:11]>>O-[C@H;D3;+0:1]1-[C:2]-[C:3]-[O;H0;D2;+0:4]-[C;H0;D3;+0:5]-1=[O;D1;H0:6].[C:7]-[NH;D2;+0:8]-[C:9].[OH;D1;+0:10]-[c:11] bd1db685c217f5259d55a0e968c6be3892dbdc397ccb1fe5e8bed018e1e37fc2 O[C@@H:8]1[C:6](=[O:7])[O:11][CH2:10][CH2:9]1.[CH3:1][N:2]1[CH2:3][CH2:4][NH:5][CH2:39][CH2:40]1.[OH:12][c:13]1[c:14]2[c:15]([cH:16][cH:17][cH:18]1)[n:19][cH:20][n:21][c:22]2[NH:23][c:24]1[cH:25][c:26]([Cl:27])[c:28]([O:29][CH2:30][c:31]2[n:32][cH:33][cH:34][cH:35][cH:36]2)[cH:37][cH:38]1>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([C:6](=[O:7])[C@@H:8]([CH2:9][CH2:10][OH:11])[O:12][c:13]2[c:14]3[c:15]([cH:16][cH:17][cH:18]2)[n:19][cH:20][n:21][c:22]3[NH:23][c:24]2[cH:25][c:26]([Cl:27])[c:28]([O:29][CH2:30][c:31]3[n:32][cH:33][cH:34][cH:35][cH:36]3)[cH:37][cH:38]2)[CH2:39][CH2:40]1 ABEVQSYKFNUPKK-UHFFFAOYSA-N.FWIBCWKHNZBDLS-VKHMYHEASA-N.PVOAHINGSUIXLS-UHFFFAOYSA-N>>FYQLSGTZXNFLBP-AREMUKBSSA-N 0.0 Unrecognized False stereospecific False [C:7]-[N;H0;D3;+0:8](-[C:9])-[C;H0;D3;+0:5](=[O;D1;H0:6])-[C@@H;D3;+0:1](-[C:2]-[C:3]-[OH;D1;+0:4])-[O;H0;D2;+0:10]-[c:11]>>O-[C@H;D3;+0:1]1-[C:2]-[C:3]-[O;H0;D2;+0:4]-[C;H0;D3;+0:5]-1=[O;D1;H0:6].[C:7]-[NH;D2;+0:8]-[C:9].[OH;D1;+0:10]-[c:11] bd1db685c217f5259d55a0e968c6be3892dbdc397ccb1fe5e8bed018e1e37fc2 O[C@@H:6]1[c:7]2[c:8]([c:19]3[c:20]([cH:21][cH:22]2)[n:23]([CH3:24])[c:25]([CH3:26])[n:27]3)[O:9][C@H:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[C@H:17]1[OH:18].[CH3:1][O:2][CH2:3][CH2:4][OH:5]>O=S(=O)(O)O>[CH3:1][O:2][CH2:3][CH2:4][O:5][C@H:6]1[c:7]2[c:8]([c:19]3[c:20]([cH:21][cH:22]2)[n:23]([CH3:24])[c:25]([CH3:26])[n:27]3)[O:9][C@H:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[C@H:17]1[OH:18] VEQSUNRSGOTBAA-IXDOHACOSA-N.XNWFRZJHXBZDAG-UHFFFAOYSA-N>>YTJKVLZENMJWLQ-SBHAEUEKSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:5]-[C:4]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[C:4]-[OH;D1;+0:5] 8ef13bbf3dc8875f638aaf6c625be81274e191046cbc755203d8f4cffef2912d [CH3:1][c:2]1[n:3][c:4]2[c:5]([cH:6][cH:7][c:8]3[c:9]2[O:10][C@H:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[C@@H:18]([OH:19])[C:20]3=[O:21])[n:22]1[CH:23]1[CH2:24][CH2:25]1>CO.B.[Na+]>[CH3:1][c:2]1[n:3][c:4]2[c:5]([cH:6][cH:7][c:8]3[c:9]2[O:10][C@H:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[C@@H:18]([OH:19])[C@@H:20]3[OH:21])[n:22]1[CH:23]1[CH2:24][CH2:25]1 XHCZESCKJJRNSE-RBUKOAKNSA-N>>LPHWMJAUDNAXOW-CEXWTWQISA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][C:2](=[O:3])[c:4]1[n:5][c:6]([C:7]([CH3:8])([CH3:9])[O:10][SiH2:11][C:12]([CH3:13])([CH3:14])[CH3:15])[cH:16][cH:17][cH:18]1>B.C1CCOC1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.Cc1ccccc1>[CH3:1][C@@H:2]([OH:3])[c:4]1[n:5][c:6]([C:7]([CH3:8])([CH3:9])[O:10][SiH2:11][C:12]([CH3:13])([CH3:14])[CH3:15])[cH:16][cH:17][cH:18]1 MFRXLKQOFGWCMD-UHFFFAOYSA-N>>KDTNVZUOIRVCGF-SNVBAGLBSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]-[C@H;D3;+0:3](-[C;D1;H3:4])-[OH;D1;+0:5]>>[#7;a:1]:[c:2]-[C;H0;D3;+0:3](-[C;D1;H3:4])=[O;H0;D1;+0:5] 439910f0ec84fc11a36d00d5e6a4edbc841ea487b63c909aa068c82b3ec914b0 O[C@@H:6]1[c:7]2[c:8]([c:19]3[c:20]([cH:21][cH:22]2)[n:23]([CH:24]2[CH2:25][CH2:26]2)[c:27]([CH3:28])[n:29]3)[O:9][C@H:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[C@H:17]1[OH:18].[CH3:1][O:2][CH2:3][CH2:4][OH:5]>O=S(=O)(O)O>[CH3:1][O:2][CH2:3][CH2:4][O:5][C@H:6]1[c:7]2[c:8]([c:19]3[c:20]([cH:21][cH:22]2)[n:23]([CH:24]2[CH2:25][CH2:26]2)[c:27]([CH3:28])[n:29]3)[O:9][C@H:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[C@H:17]1[OH:18] LPHWMJAUDNAXOW-CEXWTWQISA-N.XNWFRZJHXBZDAG-UHFFFAOYSA-N>>NCLPPDJWNXCQJJ-XPNTWCBSSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:5]-[C:4]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[C:4]-[OH;D1;+0:5] 8ef13bbf3dc8875f638aaf6c625be81274e191046cbc755203d8f4cffef2912d O[C@@H:6]1[c:7]2[c:8]([c:19]3[c:20]([cH:21][cH:22]2)[n:23]([CH3:24])[c:25]([CH:26]2[CH2:27][CH2:28]2)[n:29]3)[O:9][C@H:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[C@H:17]1[OH:18].[CH3:1][O:2][CH2:3][CH2:4][OH:5]>O=S(=O)(O)O>[CH3:1][O:2][CH2:3][CH2:4][O:5][C@H:6]1[c:7]2[c:8]([c:19]3[c:20]([cH:21][cH:22]2)[n:23]([CH3:24])[c:25]([CH:26]2[CH2:27][CH2:28]2)[n:29]3)[O:9][C@H:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[C@H:17]1[OH:18] ICFCGQLGOWMJTQ-FGTMMUONSA-N.XNWFRZJHXBZDAG-UHFFFAOYSA-N>>NOYQGAZGDXYUSP-SJBKTWHCSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:5]-[C:4]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[C:4]-[OH;D1;+0:5] 8ef13bbf3dc8875f638aaf6c625be81274e191046cbc755203d8f4cffef2912d [CH3:1][CH:2]=[CH:3][n:4]1[c:5]([CH3:6])[n:7][c:8]2[c:9]1[cH:10][cH:11][c:12]1[c:13]2[O:14][C@H:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[C@@H:22]([O:23][C:24](=[O:25])[C:26]([CH3:27])([CH3:28])[CH3:29])[C:30]1=[O:31]>CO.B.[Na+]>[CH3:1][CH:2]=[CH:3][n:4]1[c:5]([CH3:6])[n:7][c:8]2[c:9]1[cH:10][cH:11][c:12]1[c:13]2[O:14][C@H:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[C@@H:22]([O:23][C:24](=[O:25])[C:26]([CH3:27])([CH3:28])[CH3:29])[C@@H:30]1[OH:31] SQOMAUJAWKBWNZ-GGAORHGYSA-N>>YPWIIIXYFAHWTC-XPNTWCBSSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C:2](-[#8:3]-[C:4](=[O;D1;H0:5])-[C:6](-[C;D1;H3:7])(-[C;D1;H3:8])-[C;D1;H3:9])-[C@H;D3;+0:10](-[OH;D1;+0:11])-[c:12]>>[C:1]-[C:2](-[#8:3]-[C:4](=[O;D1;H0:5])-[C:6](-[C;D1;H3:7])(-[C;D1;H3:8])-[C;D1;H3:9])-[C;H0;D3;+0:10](=[O;H0;D1;+0:11])-[c:12] 68899baad5cf0e2e3a525805a9f485f52ac68e20b3b0e195d0570ec09d81a993 [CH3:1][O:2][C:3](=[O:4])[C@@H:5]1[N:6]([C:7](=[O:8])[O:9][CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[C@H:17]1[CH3:18].[OH:19][CH3:20]>CCOCC.ClC(Cl)Cl.FB(F)F>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([NH:6][C:7](=[O:8])[O:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@H:17]([CH3:18])[O:19][CH3:20] GYSSOABOJGIPEA-ZVXSNUFUSA-N.OKKJLVBELUTLKV-UHFFFAOYSA-N>>RUNYPPWJZPKKII-JQWIXIFHSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:1]-[C@H;D3;+0:2](-[O;H0;D2;+0:20]-[C;D1;H3:19])-[C@H;D3;+0:3](-[NH;D2;+0:8]-[C:9](=[O;D1;H0:10])-[#8:11]-[C:12]-[c:13]1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)-[C:4](=[O;D1;H0:5])-[#8:6]-[C;D1;H3:7]>>[C;D1;H3:1]-[C@H;D3;+0:2]1-[C@H;D3;+0:3](-[C:4](=[O;D1;H0:5])-[#8:6]-[C;D1;H3:7])-[N;H0;D3;+0:8]-1-[C:9](=[O;D1;H0:10])-[#8:11]-[C:12]-[c:13]1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1.[C;D1;H3:19]-[OH;D1;+0:20] 2486ac3a90d5ca9d817a1bebc090e5d1c1b6e72e0a42b1f542deae4f745b57ec [CH3:1][O:2][C:3](=[O:4])[C@@H:5]1[N:6]([C:7](=[O:8])[O:9][CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[C@H:17]1[CH3:18].[OH:19][CH:20]([CH3:21])[CH3:22]>CCOCC.ClC(Cl)Cl.FB(F)F>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([NH:6][C:7](=[O:8])[O:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@H:17]([CH3:18])[O:19][CH:20]([CH3:21])[CH3:22] GYSSOABOJGIPEA-ZVXSNUFUSA-N.KFZMGEQAYNKOFK-UHFFFAOYSA-N>>YJPPHLKPRKSCAC-JSGCOSHPSA-N 0.0 Unrecognized False stereospecific False [C:19]-[O;H0;D2;+0:20]-[C@@H;D3;+0:2](-[C;D1;H3:1])-[C@H;D3;+0:3](-[NH;D2;+0:8]-[C:9](=[O;D1;H0:10])-[#8:11]-[C:12]-[c:13]1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)-[C:4](=[O;D1;H0:5])-[#8:6]-[C;D1;H3:7]>>[C;D1;H3:1]-[C@H;D3;+0:2]1-[C@H;D3;+0:3](-[C:4](=[O;D1;H0:5])-[#8:6]-[C;D1;H3:7])-[N;H0;D3;+0:8]-1-[C:9](=[O;D1;H0:10])-[#8:11]-[C:12]-[c:13]1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1.[C:19]-[OH;D1;+0:20] 2486ac3a90d5ca9d817a1bebc090e5d1c1b6e72e0a42b1f542deae4f745b57ec [CH3:1][O:2][C:3](=[O:4])[C@@H:5]1[N:6]([C:7](=[O:8])[O:9][CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[C@H:17]1[CH3:18].[OH:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1>CCOCC.ClC(Cl)Cl.FB(F)F>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([NH:6][C:7](=[O:8])[O:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@H:17]([CH3:18])[O:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1 GYSSOABOJGIPEA-ZVXSNUFUSA-N.WVDDGKGOMKODPV-UHFFFAOYSA-N>>KKHLJBUVMAZEOY-YJBOKZPZSA-N 0.0 Unrecognized False stereospecific False [C:19]-[O;H0;D2;+0:20]-[C@@H;D3;+0:2](-[C;D1;H3:1])-[C@H;D3;+0:3](-[NH;D2;+0:8]-[C:9](=[O;D1;H0:10])-[#8:11]-[C:12]-[c:13]1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1)-[C:4](=[O;D1;H0:5])-[#8:6]-[C;D1;H3:7]>>[C;D1;H3:1]-[C@H;D3;+0:2]1-[C@H;D3;+0:3](-[C:4](=[O;D1;H0:5])-[#8:6]-[C;D1;H3:7])-[N;H0;D3;+0:8]-1-[C:9](=[O;D1;H0:10])-[#8:11]-[C:12]-[c:13]1:[c:14]:[c:15]:[c:16]:[c:17]:[c:18]:1.[C:19]-[OH;D1;+0:20] 2486ac3a90d5ca9d817a1bebc090e5d1c1b6e72e0a42b1f542deae4f745b57ec O[C@@H:8]([CH3:9])[c:10]1[c:11]([C:12]([F:13])([F:14])[F:15])[cH:16][cH:17][cH:18][cH:19]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([OH:7])[cH:20][c:21]([N+:22](=[O:23])[O-:24])[s:25]1>CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)C.ClCCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([O:7][C@H:8]([CH3:9])[c:10]2[c:11]([C:12]([F:13])([F:14])[F:15])[cH:16][cH:17][cH:18][cH:19]2)[cH:20][c:21]([N+:22](=[O:23])[O-:24])[s:25]1 CJHDSFKNSOHWCK-UHFFFAOYSA-N.VGHBIJJTMFYTPY-LURJTMIESA-N>>KLEJCIQBFZNRSX-MRVPVSSYSA-N 0.0 Unrecognized False stereospecific False [#16;a:4]:[c:5]:[c:6]-[O;H0;D2;+0:7]-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3].[#16;a:4]:[c:5]:[c:6]-[OH;D1;+0:7] 90e2a5813f01d6cebccc282d34f6619c4b068baf7cca999a0ef1939b2ba1069f O[C@@H:10]1[CH2:11][CH2:12][CH2:13][N:14]([C:15](=[O:16])[c:17]2[cH:18][cH:19][c:20]([F:21])[cH:22][cH:23]2)[CH2:24]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:7]2[n:8][n:9][n:25][nH:26]2)[cH:27][cH:28]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:7]2[n:8][n:9]([C@H:10]3[CH2:11][CH2:12][CH2:13][N:14]([C:15](=[O:16])[c:17]4[cH:18][cH:19][c:20]([F:21])[cH:22][cH:23]4)[CH2:24]3)[n:25][n:26]2)[cH:27][cH:28]1 JSOIPJUBYSUGSF-LLVKDONJSA-N.KZGGHPBTKGLWQL-UHFFFAOYSA-N>>BGZITSBRFOHDFX-KRWDZBQOSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[n;H0;D3;+0:6]1:[#7;a:5]:[n;H0;D2;+0:9]:[c:8]:[#7;a:7]:1>>O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[#7;a:5]1:[n;H0;D2;+0:6]:[#7;a:7]:[c:8]:[nH;D2;+0:9]:1 2c0727c6ab5ef0072cb44bf22a6141bab329c0947a527932c800cc2e3c5a7d60 O[C@@H:9]1[CH2:10][CH2:11][CH2:12][N:13]([C:14](=[O:15])[c:16]2[cH:17][cH:18][c:19]([F:20])[cH:21][cH:22]2)[CH2:23]1.[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:6]2[n:7][n:8][n:24][nH:25]2)[cH:26][cH:27]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:6]2[n:7][n:8]([C@H:9]3[CH2:10][CH2:11][CH2:12][N:13]([C:14](=[O:15])[c:16]4[cH:17][cH:18][c:19]([F:20])[cH:21][cH:22]4)[CH2:23]3)[n:24][n:25]2)[cH:26][cH:27]1 BCCJIAZPYBJASR-UHFFFAOYSA-N.JSOIPJUBYSUGSF-LLVKDONJSA-N>>UYBVMLGBEUEQET-SFHVURJKSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[n;H0;D3;+0:6]1:[#7;a:5]:[n;H0;D2;+0:9]:[c:8]:[#7;a:7]:1>>O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[#7;a:5]1:[n;H0;D2;+0:6]:[#7;a:7]:[c:8]:[nH;D2;+0:9]:1 2c0727c6ab5ef0072cb44bf22a6141bab329c0947a527932c800cc2e3c5a7d60 O[C@@H:8]1[CH2:9][CH2:10][CH2:11][N:12]([C:13](=[O:14])[c:15]2[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]2)[CH2:22]1.[CH3:1][c:2]1[cH:3][c:4](-[c:5]2[n:6][n:7][n:23][nH:24]2)[cH:25][cH:26][cH:27]1>>[CH3:1][c:2]1[cH:3][c:4](-[c:5]2[n:6][n:7]([C@H:8]3[CH2:9][CH2:10][CH2:11][N:12]([C:13](=[O:14])[c:15]4[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]4)[CH2:22]3)[n:23][n:24]2)[cH:25][cH:26][cH:27]1 GWZNHKMUSLKULV-UHFFFAOYSA-N.JSOIPJUBYSUGSF-LLVKDONJSA-N>>IIVXWSHIMIOCHC-SFHVURJKSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[n;H0;D3;+0:6]1:[#7;a:5]:[n;H0;D2;+0:9]:[c:8]:[#7;a:7]:1>>O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[#7;a:5]1:[n;H0;D2;+0:6]:[#7;a:7]:[c:8]:[nH;D2;+0:9]:1 2c0727c6ab5ef0072cb44bf22a6141bab329c0947a527932c800cc2e3c5a7d60 O=[CH:5][C@H:16]([OH:17])[C@@H:18]([OH:19])[C@H:20]([C@@H:3]([CH2:2][OH:1])[OH:4])[OH:21].[NH:6]1[CH2:7][CH2:8][c:9]2[c:10]([Cl:11])[cH:12][cH:13][cH:14][c:15]21>CCO.O>[OH:1][CH2:2][C@H:3]1[O:4][C@@H:5]([N:6]2[CH2:7][CH2:8][c:9]3[c:10]([Cl:11])[cH:12][cH:13][cH:14][c:15]32)[C@H:16]([OH:17])[C@@H:18]([OH:19])[C@H:20]1[OH:21] BBHMZHDPVNXFMI-UHFFFAOYSA-N.GZCGUPFRVQAUEE-KCDKBNATSA-N>>QYXFIQLPIQWGQI-MBJXGIAVSA-N 0.0 Unrecognized True substrate controlled False [N;H0;D3;+0:7]-[C@H;D3;+0:1]1-[C@H;D3;+0:2]-[C@H;D3;+0:3]-[C@@H;D3;+0:4]-[C@@H;D3;+0:5]-[O;H0;D2;+0:6]-1>>O=[CH;D2;+0:1]-[C@H;D3;+0:2]-[C@@H;D3;+0:3]-[C@H;D3;+0:4]-[C@@H;D3;+0:5]-[OH;D1;+0:6].[NH;D2;+0:7] 55a5c480d3f67e2b0171931d66b7ad157d9b60399886c9768b3f7e589d7358b2 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@H:9]1[CH2:10][C:11](=[O:12])[CH2:13][C@H:14]1[C:15](=[O:16])[OH:17]>CCOC(C)=O.CO.Cl.B.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@H:9]1[CH2:10][C@@H:11]([OH:12])[CH2:13][C@H:14]1[C:15](=[O:16])[OH:17] UMPVGBFVGCYACA-SFYZADRCSA-N>>HUGPKOMETVWYPN-RNJXMRFFSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d O=[CH:16][c:17]1[cH:18][c:19]([O:20][CH3:21])[cH:22][c:23]([O:24][CH3:25])[cH:26]1.[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([CH2:6][c:7]1[cH:8][nH:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]12)[NH2:27]>COC(OC)OC.ClCCl>[CH3:1][O:2][C:3](=[O:4])[C@H:5]1[CH2:6][c:7]2[c:8]([nH:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]23)[C@@H:16]([c:17]2[cH:18][c:19]([O:20][CH3:21])[cH:22][c:23]([O:24][CH3:25])[cH:26]2)[NH:27]1 KCUNTYMNJVXYKZ-SNVBAGLBSA-N.VFZRZRDOXPRTSC-UHFFFAOYSA-N>>AEZLQYNXSMVSAD-RTBURBONSA-N 0.0 Unrecognized True substrate controlled False [nH;D2;+0:7]:[c;H0;D3;+0:6]1:[c;H0;D3;+0:5]-[CH2;D2;+0:4]-[C@@H;D3;+0:3]-[NH;D2;+0:2]-[C@@H;D3;+0:1]-1>>O=[CH;D2;+0:1].[NH2;D1;+0:2]-[C@@H;D3;+0:3]-[CH2;D2;+0:4]-[c;H0;D3;+0:5]:[cH;D2;+0:6]:[nH;D2;+0:7] a09504bb4cd728df12a549a3c79bd02dc8c890127c8e2adcf85c5eec01e9da55 [CH2:1]=[CH:2][CH2:3][c:4]1[cH:5][cH:6][cH:7][c:8]([CH2:9][C@H:10]([NH:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[C:19](=[O:20])[CH2:21][Cl:22])[cH:23]1>CCO.Cl.B.[Na+]>[CH2:1]=[CH:2][CH2:3][c:4]1[cH:5][cH:6][cH:7][c:8]([CH2:9][C@H:10]([NH:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[C@H:19]([OH:20])[CH2:21][Cl:22])[cH:23]1 MTYIPYPZXUXMPC-HNNXBMFYSA-N>>BSJQPHFNEHJBSK-JKSUJKDBSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 Cl[C@@H:5]([C:3]([O:2][CH3:1])=[O:4])[CH3:6].[OH:7][c:8]1[c:9](-[c:10]2[cH:11][c:12]([C:13](=[O:14])[NH:15][CH2:16][C:17]34[CH2:18][CH:19]5[CH2:20][CH:21]([CH2:22][CH:23]([CH2:24]5)[CH2:25]3)[CH2:26]4)[c:27]([Cl:28])[cH:29][cH:30]2)[cH:31][cH:32][cH:33][cH:34]1>CC(C)=O.O=C(O)O.[K+].[K+]>[CH3:1][O:2][C:3](=[O:4])[C@H:5]([CH3:6])[O:7][c:8]1[c:9](-[c:10]2[cH:11][c:12]([C:13](=[O:14])[NH:15][CH2:16][C:17]34[CH2:18][CH:19]5[CH2:20][CH:21]([CH2:22][CH:23]([CH2:24]5)[CH2:25]3)[CH2:26]4)[c:27]([Cl:28])[cH:29][cH:30]2)[cH:31][cH:32][cH:33][cH:34]1 BSERQOABUNFBFT-UHFFFAOYSA-N.JLEJCNOTNLZCHQ-GSVOUGTGSA-N>>ZFLOLOAMVKKYKJ-BBXRDKHSSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:6]-[#8:5]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:1](-[C;D1;H3:2])-[O;H0;D2;+0:7]-[c:8]>>Cl-[C@H;D3;+0:1](-[C;D1;H3:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C;D1;H3:6].[OH;D1;+0:7]-[c:8] 02b655405cbd9d648c5c64a0ae35b0cd17dea586203fa4a3ff56fc79328f423f Cl[C@@H:5]([C:3]([O:2][CH3:1])=[O:4])[CH3:6].[OH:7][c:8]1[cH:9][cH:10][cH:11][c:12](-[c:13]2[cH:14][c:15]([C:16](=[O:17])[NH:18][CH2:19][C:20]34[CH2:21][CH:22]5[CH2:23][CH:24]([CH2:25][CH:26]([CH2:27]5)[CH2:28]3)[CH2:29]4)[c:30]([Cl:31])[cH:32][cH:33]2)[cH:34]1>CC(C)=O.O=C(O)O.[K+].[K+]>[CH3:1][O:2][C:3](=[O:4])[C@H:5]([CH3:6])[O:7][c:8]1[cH:9][cH:10][cH:11][c:12](-[c:13]2[cH:14][c:15]([C:16](=[O:17])[NH:18][CH2:19][C:20]34[CH2:21][CH:22]5[CH2:23][CH:24]([CH2:25][CH:26]([CH2:27]5)[CH2:28]3)[CH2:29]4)[c:30]([Cl:31])[cH:32][cH:33]2)[cH:34]1 HQXTWJVTBCDDEL-UHFFFAOYSA-N.JLEJCNOTNLZCHQ-GSVOUGTGSA-N>>RSMOSPIEHVXEAY-BBXRDKHSSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:6]-[#8:5]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:1](-[C;D1;H3:2])-[O;H0;D2;+0:7]-[c:8]>>Cl-[C@H;D3;+0:1](-[C;D1;H3:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C;D1;H3:6].[OH;D1;+0:7]-[c:8] 02b655405cbd9d648c5c64a0ae35b0cd17dea586203fa4a3ff56fc79328f423f Cl[C@@H:5]([C:3]([O:2][CH3:1])=[O:4])[CH3:6].[OH:7][c:8]1[cH:9][cH:10][c:11](-[c:12]2[cH:13][c:14]([C:15](=[O:16])[NH:17][CH2:18][C:19]34[CH2:20][CH:21]5[CH2:22][CH:23]([CH2:24][CH:25]([CH2:26]5)[CH2:27]3)[CH2:28]4)[c:29]([Cl:30])[cH:31][cH:32]2)[cH:33][cH:34]1>CC(C)=O.O=C(O)O.[K+].[K+]>[CH3:1][O:2][C:3](=[O:4])[C@H:5]([CH3:6])[O:7][c:8]1[cH:9][cH:10][c:11](-[c:12]2[cH:13][c:14]([C:15](=[O:16])[NH:17][CH2:18][C:19]34[CH2:20][CH:21]5[CH2:22][CH:23]([CH2:24][CH:25]([CH2:26]5)[CH2:27]3)[CH2:28]4)[c:29]([Cl:30])[cH:31][cH:32]2)[cH:33][cH:34]1 JLEJCNOTNLZCHQ-GSVOUGTGSA-N.RXRXNJWWGZSHIC-UHFFFAOYSA-N>>DZSBRCHZVDFDEJ-BBXRDKHSSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:6]-[#8:5]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:1](-[C;D1;H3:2])-[O;H0;D2;+0:7]-[c:8]>>Cl-[C@H;D3;+0:1](-[C;D1;H3:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C;D1;H3:6].[OH;D1;+0:7]-[c:8] 02b655405cbd9d648c5c64a0ae35b0cd17dea586203fa4a3ff56fc79328f423f [CH3:1][O:2][C:3](=[O:4])[CH2:5][C:6](=[O:7])[CH2:8][C@H:9]([OH:10])/[CH:11]=[CH:12]/[c:13]1[c:14]([CH:15]([CH3:16])[CH3:17])[n:18][c:19]([N:20]([CH3:21])[S:22]([CH3:23])(=[O:24])=[O:25])[n:26][c:27]1-[c:28]1[cH:29][cH:30][c:31]([F:32])[cH:33][cH:34]1>C1CCOC1.CC(=O)O.CCB(CC)OC.CCOC(C)=O.CO.CO.O.B.[Na+]>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@H:6]([OH:7])[CH2:8][C@H:9]([OH:10])/[CH:11]=[CH:12]/[c:13]1[c:14]([CH:15]([CH3:16])[CH3:17])[n:18][c:19]([N:20]([CH3:21])[S:22]([CH3:23])(=[O:24])=[O:25])[n:26][c:27]1-[c:28]1[cH:29][cH:30][c:31]([F:32])[cH:33][cH:34]1 LPWZGSQEZQDBNV-SXSDINLZSA-N>>SUTPUCLJAVPJRS-NDZBKKTDSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8] 6d22697717f18276a46a829d2506058ec35ca7c95a696f7fd2a8edc46f88faeb [CH3:1][CH:2]([CH3:3])[c:4]1[c:5](/[CH:6]=[CH:7]/[C@@H:8]([OH:9])[CH2:10][C:11](=[O:12])[CH2:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[c:21](-[c:22]2[cH:23][cH:24][c:25]([F:26])[cH:27][cH:28]2)[n:29][c:30]([N:31]([CH3:32])[S:33]([CH3:34])(=[O:35])=[O:36])[n:37]1>C1CCOC1.CC(=O)O.CCB(CC)OC.CCOC(C)=O.CO.CO.O.B.[Na+]>[CH3:1][CH:2]([CH3:3])[c:4]1[c:5](/[CH:6]=[CH:7]/[C@@H:8]([OH:9])[CH2:10][C@@H:11]([OH:12])[CH2:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[c:21](-[c:22]2[cH:23][cH:24][c:25]([F:26])[cH:27][cH:28]2)[n:29][c:30]([N:31]([CH3:32])[S:33]([CH3:34])(=[O:35])=[O:36])[n:37]1 QILQWACDSPPUDH-JXOMPUQVSA-N>>IJHZGLLGELSZAF-OKLSWEBGSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11] 0afd88cd782eb1bee9f12e6fbe748f36472b2ceb528af5741a258a3549fccbe3 [O:1]=[C:2]([CH2:3][C@H:4]1[CH:5]=[CH:6][C:7](=[O:8])[CH2:9][C@H:10]1[C:11](=[O:12])[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1>CO.B.[Na+]>[O:1]=[C:2]([CH2:3][C@H:4]1[CH:5]=[CH:6][C@@H:7]([OH:8])[CH2:9][C@H:10]1[C:11](=[O:12])[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1 QXVUTBXMMIVTAP-IEBWSBKVSA-N>>MTQAHSWHDBVVQV-GUDVDZBRSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[C:1]=[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 3d438d587d87521e60f8311dfb4f60605630598ea592a8172db481577c2b213e [CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH2:9][C@H:10]1[CH:11]=[CH:12][C:13](=[O:14])[CH2:15][C@@H:16]1[O:17][Si:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[CH3:24]>CO.B.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([CH3:6])([CH3:7])[O:8][CH2:9][C@H:10]1[CH:11]=[CH:12][C@H:13]([OH:14])[CH2:15][C@@H:16]1[O:17][Si:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[CH3:24] HTCPPCIDPSBRHS-WBVHZDCISA-N>>OWOFSMVXUNYERA-IKGGRYGDSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[C:1]=[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 30b58d787d9916ad48be3323fde35e4d1c60b573ffde717577d2f36c035f619a [CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C:7](=[O:8])[CH2:9][C@H:10]([OH:11])/[CH:12]=[CH:13]/[c:14]1[c:15]([CH:16]([CH3:17])[CH3:18])[n:19][c:20]([N:21]([CH3:22])[S:23]([CH3:24])(=[O:25])=[O:26])[n:27][c:28]1-[c:29]1[cH:30][cH:31][c:32]([F:33])[cH:34][cH:35]1>C1CCOC1.CC(=O)O.CCB(CC)OC.CO.COC(C)(C)C.O.B.[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C@H:7]([OH:8])[CH2:9][C@H:10]([OH:11])/[CH:12]=[CH:13]/[c:14]1[c:15]([CH:16]([CH3:17])[CH3:18])[n:19][c:20]([N:21]([CH3:22])[S:23]([CH3:24])(=[O:25])=[O:26])[n:27][c:28]1-[c:29]1[cH:30][cH:31][c:32]([F:33])[cH:34][cH:35]1 ABQHNLSQARCFAU-IENJSVCTSA-N>>MSHKEMUMXTZIIT-MCBHFWOFSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9] 811c4d40f644988e478ae44f96428cdb9344f188862e684f75c42e22295e3173 [CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]([CH:9]3[CH2:10][CH2:11][CH2:12][CH2:13]3)[c:14]1[C:15](=[O:16])[c:17]1[cH:18][cH:19][c:20]([C:21]([F:22])([F:23])[F:24])[cH:25][cH:26]1)[C:27](=[O:28])[CH2:29][C:30]1([CH2:31][CH2:32][CH2:33]1)[CH2:34]2>C1CCOC1.CO.N[C@@H]1c2ccccc2C[C@@H]1O>[CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]([CH:9]3[CH2:10][CH2:11][CH2:12][CH2:13]3)[c:14]1[C:15](=[O:16])[c:17]1[cH:18][cH:19][c:20]([C:21]([F:22])([F:23])[F:24])[cH:25][cH:26]1)[C@@H:27]([OH:28])[CH2:29][C:30]1([CH2:31][CH2:32][CH2:33]1)[CH2:34]2 YOPLTKDJXVPHLY-UHFFFAOYSA-N>>CZPCZNATTPCQLA-NRFANRHFSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 8195ad48987c12d459870b75bedef46a37480b4c6c44771b180631aa2774a53a [CH3:1][C:2]1([CH3:3])[CH2:4][c:5]2[c:6]([c:7]([CH:8]3[CH2:9][CH2:10][CH2:11][CH2:12]3)[c:13]([C:14](=[O:15])[c:16]3[cH:17][cH:18][c:19]([C:20]([F:21])([F:22])[F:23])[cH:24][cH:25]3)[c:26]([CH:27]3[CH2:28][CH2:29][CH2:30][CH2:31]3)[n:32]2)[C:33](=[O:34])[CH2:35]1>C1CCOC1.CO.N[C@@H]1c2ccccc2C[C@@H]1O>[CH3:1][C:2]1([CH3:3])[CH2:4][c:5]2[c:6]([c:7]([CH:8]3[CH2:9][CH2:10][CH2:11][CH2:12]3)[c:13]([C:14](=[O:15])[c:16]3[cH:17][cH:18][c:19]([C:20]([F:21])([F:22])[F:23])[cH:24][cH:25]3)[c:26]([CH:27]3[CH2:28][CH2:29][CH2:30][CH2:31]3)[n:32]2)[C@@H:33]([OH:34])[CH2:35]1 KSXSQPFJUGXOHB-UHFFFAOYSA-N>>PEMPKZWUOZZQKC-QFIPXVFZSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 8195ad48987c12d459870b75bedef46a37480b4c6c44771b180631aa2774a53a [CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]([CH:9]3[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]3)[c:15]1[C:16](=[O:17])[c:18]1[cH:19][cH:20][c:21]([C:22]([F:23])([F:24])[F:25])[cH:26][cH:27]1)[C:28](=[O:29])[CH2:30][C:31]([CH3:32])([CH3:33])[CH2:34]2>C1CCOC1.CO.N[C@@H]1c2ccccc2C[C@@H]1O>[CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]([CH:9]3[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]3)[c:15]1[C:16](=[O:17])[c:18]1[cH:19][cH:20][c:21]([C:22]([F:23])([F:24])[F:25])[cH:26][cH:27]1)[C@@H:28]([OH:29])[CH2:30][C:31]([CH3:32])([CH3:33])[CH2:34]2 AXXKWKZYJJMVCB-UHFFFAOYSA-N>>JKTJFUOSZGUZHL-NRFANRHFSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 8195ad48987c12d459870b75bedef46a37480b4c6c44771b180631aa2774a53a CC(C)c1cc(C(C)C)c(S(=O)(=O)[N:9]=[N+:10]=[N-:11])c(C(C)C)c1.[CH3:1][C:2]1([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][C:12](=[O:13])[N:14]2[C:15](=[O:16])[O:17][CH2:18][C@@H:19]2[CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[O:27][CH2:28][CH2:29][O:30]1>C1CCOC1.CC(=O)O.C[Si](C)(C)N[Si](C)(C)C.Cc1ccccc1.Cl.[K+].N>[CH3:1][C:2]1([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C@H:8]([N:9]=[N+:10]=[N-:11])[C:12](=[O:13])[N:14]2[C:15](=[O:16])[O:17][CH2:18][C@@H:19]2[CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[O:27][CH2:28][CH2:29][O:30]1 AEMWUHCKKDPRSK-UHFFFAOYSA-N.HLSVUXBINSEHRI-SFHVURJKSA-N>>IICYEHOSIARKTO-ROUUACIJSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]>>C-C(-C)-c1:c:c(-C(-C)-C):c(-S(=O)(=O)-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]):c(-C(-C)-C):c:1.[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 5d62210582e8509f7297b5a975afcc5b3dde53629231d99da0265d38e21e8265 [CH2:1]=[CH:2][CH2:3][O:4][C@@:5]12[CH2:6][CH2:7][C:8](=[O:9])[C@@H:10]3[O:11][c:12]4[c:13]([O:14][CH2:15][c:16]5[cH:17][cH:18][cH:19][cH:20][cH:21]5)[cH:22][cH:23][c:24]5[c:25]4[C@:26]13[CH2:27][CH2:28][N:29]([CH2:30][CH:31]1[CH2:32][CH2:33]1)[C@@H:34]2[CH2:35]5>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.[K+]>[CH2:1]=[CH:2][CH2:3][O:4][C@@:5]12[CH2:6][CH2:7][C@H:8]([OH:9])[C@@H:10]3[O:11][c:12]4[c:13]([O:14][CH2:15][c:16]5[cH:17][cH:18][cH:19][cH:20][cH:21]5)[cH:22][cH:23][c:24]5[c:25]4[C@:26]13[CH2:27][CH2:28][N:29]([CH2:30][CH:31]1[CH2:32][CH2:33]1)[C@@H:34]2[CH2:35]5 XTDIHKYKTSZNQR-ZBBWKFRYSA-N>>WXWSGIQWVNFULZ-OIRZSGMBSA-N 0.0 Unrecognized False substrate controlled False [#8:1]-[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#8:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] acd65360c41d94aad84f54104b4be3e8d3b157bdb1eb571ebb7df7c4147c5c5e CC(C)(C)O[C:6](=[O:7])[NH:8][C@H:9]([CH:10]1[CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]2[CH2:18]1)[C:19](O)=[O:20].O=[CH:5][CH2:4][CH:2]([CH3:1])[CH3:3].[NH2:21][CH2:22][c:23]1[c:24]([CH2:25][OH:26])[cH:27][cH:28][cH:29][cH:30]1>CC(=O)Cl.CO.ClC(Cl)Cl.O=C(O)O.[C-]#[N+]c1ccccc1OCc1ccccc1.[Na+]>[CH3:1][CH:2]([CH3:3])[CH2:4][C@@H:5]1[C:6](=[O:7])[NH:8][C@H:9]([CH:10]2[CH2:11][c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[CH2:18]2)[C:19](=[O:20])[N:21]1[CH2:22][c:23]1[c:24]([CH2:25][OH:26])[cH:27][cH:28][cH:29][cH:30]1 FTFHSGKASINZBY-UHFFFAOYSA-N.VCHHRDDQOOBPTC-CYBMUJFWSA-N.YGHRJJRRZDOVPD-UHFFFAOYSA-N>>RYRIAXDDEANVHT-DHIUTWEWSA-N 0.0 Unrecognized True substrate controlled False [O;H0;D1;+0:6]=[C;H0;D3;+0:5]1-[C@H;D3;+0:4]-[NH;D2;+0:3]-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[C@H;D3;+0:7]-[N;H0;D3;+0:8]-1>>C-C(-C)(-C)-O-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[NH;D2;+0:3]-[C@H;D3;+0:4]-[C;H0;D3;+0:5](-O)=[O;H0;D1;+0:6].O=[CH;D2;+0:7].[NH2;D1;+0:8] 1bd99209fc6df8ed6cac410350bff50f5bc53b1143dec089fe57971a5c536096 CC(C)(C)O[C:7](=[O:8])[NH:9][C@H:10]([CH:11]1[CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]2[CH2:19]1)[C:20](O)=[O:21].O=[CH:6][CH:3]([CH2:2][CH3:1])[CH2:4][CH3:5].[NH2:22][CH2:23][c:24]1[c:25]([CH2:26][OH:27])[cH:28][cH:29][cH:30][cH:31]1>CC(=O)Cl.CO.ClC(Cl)Cl.O=C(O)O.[C-]#[N+]c1ccc(Cl)cc1.[Na+]>[CH3:1][CH2:2][CH:3]([CH2:4][CH3:5])[C@@H:6]1[C:7](=[O:8])[NH:9][C@H:10]([CH:11]2[CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[CH2:19]2)[C:20](=[O:21])[N:22]1[CH2:23][c:24]1[c:25]([CH2:26][OH:27])[cH:28][cH:29][cH:30][cH:31]1 FTFHSGKASINZBY-UHFFFAOYSA-N.UNNGUFMVYQJGTD-UHFFFAOYSA-N.VCHHRDDQOOBPTC-CYBMUJFWSA-N>>QRXQBQAHNWDTMQ-DNQXCXABSA-N 0.0 Unrecognized True substrate controlled False [O;H0;D1;+0:6]=[C;H0;D3;+0:5]1-[C@H;D3;+0:4]-[NH;D2;+0:3]-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[C@H;D3;+0:7]-[N;H0;D3;+0:8]-1>>C-C(-C)(-C)-O-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[NH;D2;+0:3]-[C@H;D3;+0:4]-[C;H0;D3;+0:5](-O)=[O;H0;D1;+0:6].O=[CH;D2;+0:7].[NH2;D1;+0:8] 1bd99209fc6df8ed6cac410350bff50f5bc53b1143dec089fe57971a5c536096 CC(C)(C)O[C:7](=[O:8])[NH:9][C@H:10]([CH:11]1[CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]2[CH2:19]1)[C:20](O)=[O:21].O=[CH:6][CH:3]([CH2:2][CH3:1])[CH2:4][CH3:5].[NH2:22][CH2:23][c:24]1[n:25][cH:26][cH:27][cH:28][c:29]1[S:30]([CH3:31])(=[O:32])=[O:33]>CC(=O)Cl.CO.ClC(Cl)Cl.ClCCl.O=C(O)O.[C-]#[N+]c1ccc(Cl)cc1.[Na+]>[CH3:1][CH2:2][CH:3]([CH2:4][CH3:5])[C@@H:6]1[C:7](=[O:8])[NH:9][C@H:10]([CH:11]2[CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[CH2:19]2)[C:20](=[O:21])[N:22]1[CH2:23][c:24]1[n:25][cH:26][cH:27][cH:28][c:29]1[S:30]([CH3:31])(=[O:32])=[O:33] RLGSUSDCGRWFLG-UHFFFAOYSA-N.UNNGUFMVYQJGTD-UHFFFAOYSA-N.VCHHRDDQOOBPTC-CYBMUJFWSA-N>>XZPNMVPAFVLUBW-DHIUTWEWSA-N 0.0 Unrecognized True substrate controlled False [O;H0;D1;+0:6]=[C;H0;D3;+0:5]1-[C@H;D3;+0:4]-[NH;D2;+0:3]-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[C@H;D3;+0:7]-[N;H0;D3;+0:8]-1>>C-C(-C)(-C)-O-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[NH;D2;+0:3]-[C@H;D3;+0:4]-[C;H0;D3;+0:5](-O)=[O;H0;D1;+0:6].O=[CH;D2;+0:7].[NH2;D1;+0:8] 1bd99209fc6df8ed6cac410350bff50f5bc53b1143dec089fe57971a5c536096 CC(C)(C)O[C:7](=[O:8])[NH:9][C@H:10]([CH:11]1[CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]2[CH2:19]1)[C:20](O)=[O:21].O=[CH:6][CH:3]([CH2:2][CH3:1])[CH2:4][CH3:5].[NH2:22][CH2:23][c:24]1[c:25]([N+:26](=[O:27])[O-:28])[cH:29][cH:30][cH:31][cH:32]1>CC(=O)Cl.CO.[C-]#[N+]c1ccccc1O[Si](C)(C)C(C)(C)C>[CH3:1][CH2:2][CH:3]([CH2:4][CH3:5])[C@@H:6]1[C:7](=[O:8])[NH:9][C@H:10]([CH:11]2[CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[CH2:19]2)[C:20](=[O:21])[N:22]1[CH2:23][c:24]1[c:25]([N+:26](=[O:27])[O-:28])[cH:29][cH:30][cH:31][cH:32]1 PYYRNLDFMZVKCV-UHFFFAOYSA-N.UNNGUFMVYQJGTD-UHFFFAOYSA-N.VCHHRDDQOOBPTC-CYBMUJFWSA-N>>WNLWQMVLQDFFEK-DHIUTWEWSA-N 0.0 Unrecognized True substrate controlled False [O;H0;D1;+0:6]=[C;H0;D3;+0:5]1-[C@H;D3;+0:4]-[NH;D2;+0:3]-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[C@H;D3;+0:7]-[N;H0;D3;+0:8]-1>>C-C(-C)(-C)-O-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[NH;D2;+0:3]-[C@H;D3;+0:4]-[C;H0;D3;+0:5](-O)=[O;H0;D1;+0:6].O=[CH;D2;+0:7].[NH2;D1;+0:8] 1bd99209fc6df8ed6cac410350bff50f5bc53b1143dec089fe57971a5c536096 CC(C)(C)O[C:7](=[O:8])[NH:9][C@H:10]([CH:11]1[CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]2[CH2:19]1)[C:20](O)=[O:21].O=[CH:6][CH:3]([CH2:2][CH3:1])[CH2:4][CH3:5].[NH2:22][CH2:23][c:24]1[c:25]([S:26]([CH3:27])(=[O:28])=[O:29])[cH:30][c:31]([O:32][CH2:33][CH2:34][N:35]([CH3:36])[CH3:37])[cH:38][cH:39]1>CC(=O)Cl.CCN(CC)CC.CO.OCC(F)(F)F.[C-]#[N+]c1ccc(Cl)cc1>[CH3:1][CH2:2][CH:3]([CH2:4][CH3:5])[C@@H:6]1[C:7](=[O:8])[NH:9][C@H:10]([CH:11]2[CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[CH2:19]2)[C:20](=[O:21])[N:22]1[CH2:23][c:24]1[c:25]([S:26]([CH3:27])(=[O:28])=[O:29])[cH:30][c:31]([O:32][CH2:33][CH2:34][N:35]([CH3:36])[CH3:37])[cH:38][cH:39]1 UNNGUFMVYQJGTD-UHFFFAOYSA-N.URSTZEFYCKBYMR-UHFFFAOYSA-N.VCHHRDDQOOBPTC-CYBMUJFWSA-N>>PQTHLMSHFQOXEZ-VSGBNLITSA-N 0.0 Unrecognized True substrate controlled False [O;H0;D1;+0:6]=[C;H0;D3;+0:5]1-[C@H;D3;+0:4]-[NH;D2;+0:3]-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[C@H;D3;+0:7]-[N;H0;D3;+0:8]-1>>C-C(-C)(-C)-O-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[NH;D2;+0:3]-[C@H;D3;+0:4]-[C;H0;D3;+0:5](-O)=[O;H0;D1;+0:6].O=[CH;D2;+0:7].[NH2;D1;+0:8] 1bd99209fc6df8ed6cac410350bff50f5bc53b1143dec089fe57971a5c536096 CC(C)(C)O[C:6](=[O:7])[NH:8][C@H:9]([CH:10]1[CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]2[CH2:18]1)[C:19](O)=[O:20].O=[CH:5][CH2:4][CH:2]([CH3:1])[CH3:3].[NH2:21][CH2:22][c:23]1[cH:24][cH:25][c:26]([S:27](=[O:28])(=[O:29])[N:30]([CH3:31])[CH3:32])[cH:33][cH:34]1>CC(=O)Cl.CO.[C-]#[N+]c1ccccc1O[Si](C)(C)C(C)(C)C>[CH3:1][CH:2]([CH3:3])[CH2:4][C@@H:5]1[C:6](=[O:7])[NH:8][C@H:9]([CH:10]2[CH2:11][c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[CH2:18]2)[C:19](=[O:20])[N:21]1[CH2:22][c:23]1[cH:24][cH:25][c:26]([S:27](=[O:28])(=[O:29])[N:30]([CH3:31])[CH3:32])[cH:33][cH:34]1 VCHHRDDQOOBPTC-CYBMUJFWSA-N.XSKLMWLTOSBDGW-UHFFFAOYSA-N.YGHRJJRRZDOVPD-UHFFFAOYSA-N>>BCKDEJNORNEZIP-DNQXCXABSA-N 0.0 Unrecognized True substrate controlled False [O;H0;D1;+0:6]=[C;H0;D3;+0:5]1-[C@H;D3;+0:4]-[NH;D2;+0:3]-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[C@H;D3;+0:7]-[N;H0;D3;+0:8]-1>>C-C(-C)(-C)-O-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[NH;D2;+0:3]-[C@H;D3;+0:4]-[C;H0;D3;+0:5](-O)=[O;H0;D1;+0:6].O=[CH;D2;+0:7].[NH2;D1;+0:8] 1bd99209fc6df8ed6cac410350bff50f5bc53b1143dec089fe57971a5c536096 CC(C)(C)O[C:7](=[O:8])[NH:9][C@H:10]([CH:11]1[CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]2[CH2:19]1)[C:20](O)=[O:21].O=[CH:6][CH:3]([CH2:2][CH3:1])[CH2:4][CH3:5].[NH2:22][CH2:23][c:24]1[cH:25][c:26]([CH2:27][N:28]([CH3:29])[CH2:30][CH3:31])[cH:32][cH:33][cH:34]1>CC(=O)Cl.CCN(C(C)C)C(C)C.CO.[C-]#[N+]c1ccccc1O[Si](C)(C)C(C)(C)C>[CH3:1][CH2:2][CH:3]([CH2:4][CH3:5])[C@@H:6]1[C:7](=[O:8])[NH:9][C@H:10]([CH:11]2[CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[CH2:19]2)[C:20](=[O:21])[N:22]1[CH2:23][c:24]1[cH:25][c:26]([CH2:27][N:28]([CH3:29])[CH2:30][CH3:31])[cH:32][cH:33][cH:34]1 MMVYYDUAJBMSSI-UHFFFAOYSA-N.UNNGUFMVYQJGTD-UHFFFAOYSA-N.VCHHRDDQOOBPTC-CYBMUJFWSA-N>>CMPYRGLCONIGIS-KAYWLYCHSA-N 0.0 Unrecognized True substrate controlled False [O;H0;D1;+0:6]=[C;H0;D3;+0:5]1-[C@H;D3;+0:4]-[NH;D2;+0:3]-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[C@H;D3;+0:7]-[N;H0;D3;+0:8]-1>>C-C(-C)(-C)-O-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[NH;D2;+0:3]-[C@H;D3;+0:4]-[C;H0;D3;+0:5](-O)=[O;H0;D1;+0:6].O=[CH;D2;+0:7].[NH2;D1;+0:8] 1bd99209fc6df8ed6cac410350bff50f5bc53b1143dec089fe57971a5c536096 CC(C)(C)O[C:7](=[O:8])[NH:9][C@H:10]([CH:11]1[CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][c:18]2[CH2:19]1)[C:20](O)=[O:21].O=[CH:6][CH:3]([CH2:2][CH3:1])[CH2:4][CH3:5].[NH2:22][CH2:23][c:24]1[c:25]([CH2:26][OH:27])[cH:28][c:29]([CH2:30][OH:31])[cH:32][cH:33]1>CO.[C-]#[N+]c1ccc(Cl)cc1>[CH3:1][CH2:2][CH:3]([CH2:4][CH3:5])[C@@H:6]1[C:7](=[O:8])[NH:9][C@H:10]([CH:11]2[CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[CH2:19]2)[C:20](=[O:21])[N:22]1[CH2:23][c:24]1[c:25]([CH2:26][OH:27])[cH:28][c:29]([CH2:30][OH:31])[cH:32][cH:33]1 BEIUXFXVNJAFHY-UHFFFAOYSA-N.UNNGUFMVYQJGTD-UHFFFAOYSA-N.VCHHRDDQOOBPTC-CYBMUJFWSA-N>>DQBVRUCDVACRJK-JWQCQUIFSA-N 0.0 Unrecognized True substrate controlled False [O;H0;D1;+0:6]=[C;H0;D3;+0:5]1-[C@H;D3;+0:4]-[NH;D2;+0:3]-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[C@H;D3;+0:7]-[N;H0;D3;+0:8]-1>>C-C(-C)(-C)-O-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[NH;D2;+0:3]-[C@H;D3;+0:4]-[C;H0;D3;+0:5](-O)=[O;H0;D1;+0:6].O=[CH;D2;+0:7].[NH2;D1;+0:8] 1bd99209fc6df8ed6cac410350bff50f5bc53b1143dec089fe57971a5c536096 CC(C)(C)O[C:24]([NH:23][C@@H:13]([C:11](O)=[O:12])[CH:14]1[CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2[CH2:22]1)=[O:25].O=[CH:26][CH:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1.[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][NH2:10])[cH:32][cH:33]1>CC(=O)Cl.CCN(C(C)C)C(C)C.CO.Cl.ClC(Cl)Cl.O=C(O)O.[C-]#[N+]c1ccc(Cl)cc1.[Na+]>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][N:10]2[C:11](=[O:12])[C@@H:13]([CH:14]3[CH2:15][c:16]4[cH:17][cH:18][cH:19][cH:20][c:21]4[CH2:22]3)[NH:23][C:24](=[O:25])[C@H:26]2[CH:27]2[CH2:28][CH2:29][CH2:30][CH2:31]2)[cH:32][cH:33]1 VCHHRDDQOOBPTC-CYBMUJFWSA-N.VELDYOPRLMJFIK-UHFFFAOYSA-N.VMNXLLDFGVEBLE-UHFFFAOYSA-N>>ABUWLISWOHQEIB-DNQXCXABSA-N 0.0 Unrecognized True substrate controlled False [O;H0;D1;+0:6]=[C;H0;D3;+0:5]1-[C@@H;D3;+0:4]-[NH;D2;+0:3]-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[C@@H;D3;+0:7]-[N;H0;D3;+0:8]-1>>C-C(-C)(-C)-O-[C;H0;D3;+0:1](=[O;H0;D1;+0:2])-[NH;D2;+0:3]-[C@@H;D3;+0:4]-[C;H0;D3;+0:5](-O)=[O;H0;D1;+0:6].O=[CH;D2;+0:7].[NH2;D1;+0:8] 1bd99209fc6df8ed6cac410350bff50f5bc53b1143dec089fe57971a5c536096 [CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]([CH:9]3[CH2:10][CH2:11][CH2:12][CH2:13]3)[c:14]1[C:15](=[O:16])[c:17]1[cH:18][cH:19][c:20]([C:21]([F:22])([F:23])[F:24])[cH:25][cH:26]1)[C:27](=[O:28])[CH2:29][C:30]1([CH2:31][CH2:32][CH2:33]1)[CH2:34]2>C1CCOC1.CO.N[C@@H]1c2ccccc2C[C@@H]1O>[CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]([CH:9]3[CH2:10][CH2:11][CH2:12][CH2:13]3)[c:14]1[C:15](=[O:16])[c:17]1[cH:18][cH:19][c:20]([C:21]([F:22])([F:23])[F:24])[cH:25][cH:26]1)[C@@H:27]([OH:28])[CH2:29][C:30]1([CH2:31][CH2:32][CH2:33]1)[CH2:34]2 YOPLTKDJXVPHLY-UHFFFAOYSA-N>>CZPCZNATTPCQLA-NRFANRHFSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 59818681547a35b540f5f8f7dbade1077a9ae258660c4149c86b99538d1ed2c0 [CH3:1][C:2]1([CH3:3])[CH2:4][c:5]2[c:6]([c:7]([CH:8]3[CH2:9][CH2:10][CH2:11][CH2:12]3)[c:13]([C:14](=[O:15])[c:16]3[cH:17][cH:18][c:19]([C:20]([F:21])([F:22])[F:23])[cH:24][cH:25]3)[c:26]([CH:27]3[CH2:28][CH2:29][CH2:30][CH2:31]3)[n:32]2)[C:33](=[O:34])[CH2:35]1>C1CCOC1.CO.N[C@@H]1c2ccccc2C[C@@H]1O>[CH3:1][C:2]1([CH3:3])[CH2:4][c:5]2[c:6]([c:7]([CH:8]3[CH2:9][CH2:10][CH2:11][CH2:12]3)[c:13]([C:14](=[O:15])[c:16]3[cH:17][cH:18][c:19]([C:20]([F:21])([F:22])[F:23])[cH:24][cH:25]3)[c:26]([CH:27]3[CH2:28][CH2:29][CH2:30][CH2:31]3)[n:32]2)[C@@H:33]([OH:34])[CH2:35]1 KSXSQPFJUGXOHB-UHFFFAOYSA-N>>PEMPKZWUOZZQKC-QFIPXVFZSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 59818681547a35b540f5f8f7dbade1077a9ae258660c4149c86b99538d1ed2c0 [CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]([CH:9]3[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]3)[c:15]1[C:16](=[O:17])[c:18]1[cH:19][cH:20][c:21]([C:22]([F:23])([F:24])[F:25])[cH:26][cH:27]1)[C:28](=[O:29])[CH2:30][C:31]([CH3:32])([CH3:33])[CH2:34]2>C1CCOC1.CO.N[C@@H]1c2ccccc2C[C@@H]1O>[CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]([CH:9]3[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]3)[c:15]1[C:16](=[O:17])[c:18]1[cH:19][cH:20][c:21]([C:22]([F:23])([F:24])[F:25])[cH:26][cH:27]1)[C@@H:28]([OH:29])[CH2:30][C:31]([CH3:32])([CH3:33])[CH2:34]2 AXXKWKZYJJMVCB-UHFFFAOYSA-N>>JKTJFUOSZGUZHL-NRFANRHFSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 59818681547a35b540f5f8f7dbade1077a9ae258660c4149c86b99538d1ed2c0 CS(=O)(=O)O[C@@H:6]1[CH2:7][CH2:8][N:9]([C:10](=[O:11])[c:12]2[cH:13][cH:14][c:15]([I:16])[cH:17][cH:18]2)[CH2:19]1.[CH3:1][CH2:2][CH2:3][NH:4][CH3:5]>>[CH3:1][CH2:2][CH2:3][N:4]([CH3:5])[C@H:6]1[CH2:7][CH2:8][N:9]([C:10](=[O:11])[c:12]2[cH:13][cH:14][c:15]([I:16])[cH:17][cH:18]2)[CH2:19]1 GVWISOJSERXQBM-UHFFFAOYSA-N.LGINUJPMUGCRAE-LLVKDONJSA-N>>WIRUZPJRSZNDEM-AWEZNQCLSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[N;H0;D3;+0:6](-[C:5])-[C;D1;H3:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C:5]-[NH;D2;+0:6]-[C;D1;H3:7] c4cd6cb8c369520c92e638023f8c455506ed6a1095af0acf18679c4e0df172df CS(=O)(=O)O[C@@H:6]1[CH2:7][CH2:8][N:9]([C:10](=[O:11])[c:12]2[cH:13][cH:14][c:15]([Br:16])[cH:17][cH:18]2)[CH2:19]1.[CH3:1][CH2:2][NH:3][CH2:4][CH3:5]>C1COCCO1>[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[C@H:6]1[CH2:7][CH2:8][N:9]([C:10](=[O:11])[c:12]2[cH:13][cH:14][c:15]([Br:16])[cH:17][cH:18]2)[CH2:19]1 HPNMFZURTQLUMO-UHFFFAOYSA-N.JRYLFFMRRKVJIY-LLVKDONJSA-N>>WJDRMJAMOQEFDH-AWEZNQCLSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[N;H0;D3;+0:6](-[C:5])-[C:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C:5]-[NH;D2;+0:6]-[C:7] c4cd6cb8c369520c92e638023f8c455506ed6a1095af0acf18679c4e0df172df CS(=O)(=O)O[C@@H:7]1[CH2:8][CH2:9][N:10]([C:11](=[O:12])[c:13]2[cH:14][cH:15][c:16]([Br:17])[cH:18][cH:19]2)[CH2:20]1.[CH3:1][O:2][CH2:3][CH2:4][NH:5][CH3:6]>>[CH3:1][O:2][CH2:3][CH2:4][N:5]([CH3:6])[C@H:7]1[CH2:8][CH2:9][N:10]([C:11](=[O:12])[c:13]2[cH:14][cH:15][c:16]([Br:17])[cH:18][cH:19]2)[CH2:20]1 JRYLFFMRRKVJIY-LLVKDONJSA-N.KOHBEDRJXKOYHL-UHFFFAOYSA-N>>FVKSMIBXJWUMKV-AWEZNQCLSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[N;H0;D3;+0:6](-[C:5])-[C;D1;H3:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C:5]-[NH;D2;+0:6]-[C;D1;H3:7] c4cd6cb8c369520c92e638023f8c455506ed6a1095af0acf18679c4e0df172df CS(=O)(=O)O[C@@H:7]1[CH2:8][CH2:9][N:10]([C:11](=[O:12])[c:13]2[cH:14][cH:15][c:16]([Br:17])[cH:18][cH:19]2)[CH2:20]1.[CH3:1][CH:2]([CH3:3])[CH2:4][NH:5][CH3:6]>>[CH3:1][CH:2]([CH3:3])[CH2:4][N:5]([CH3:6])[C@H:7]1[CH2:8][CH2:9][N:10]([C:11](=[O:12])[c:13]2[cH:14][cH:15][c:16]([Br:17])[cH:18][cH:19]2)[CH2:20]1 JRYLFFMRRKVJIY-LLVKDONJSA-N.QKYWADPCTHTJHQ-UHFFFAOYSA-N>>IWDJPCRCAOHZMF-HNNXBMFYSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[N;H0;D3;+0:6](-[C:5])-[C;D1;H3:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C:5]-[NH;D2;+0:6]-[C;D1;H3:7] c4cd6cb8c369520c92e638023f8c455506ed6a1095af0acf18679c4e0df172df CS(=O)(=O)O[C@@H:5]1[CH2:6][CH2:7][N:8]([C:9](=[O:10])[c:11]2[cH:12][cH:13][c:14]([Br:15])[cH:16][cH:17]2)[CH2:18]1.[CH3:1][CH:2]([CH3:3])[NH2:4]>C1COCCO1>[CH3:1][CH:2]([CH3:3])[NH:4][C@H:5]1[CH2:6][CH2:7][N:8]([C:9](=[O:10])[c:11]2[cH:12][cH:13][c:14]([Br:15])[cH:16][cH:17]2)[CH2:18]1 JJWLVOIRVHMVIS-UHFFFAOYSA-N.JRYLFFMRRKVJIY-LLVKDONJSA-N>>FUPPQRNJYUDXFF-ZDUSSCGKSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[NH;D2;+0:6]-[C:5]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C:5]-[NH2;D1;+0:6] 9b64b7befc3c94be25b88084aa7b9335a4f0d897b536d63701f409c7ca47ea05 CS(=O)(=O)O[C@H:11]1[CH2:12][CH2:13][CH2:14][N:15]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:23]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][n:7][cH:8][c:9]([OH:10])[cH:24]1>CN(C)C=O.O=C(O)O.[Cs+].[Cs+]>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][n:7][cH:8][c:9]([O:10][C@@H:11]2[CH2:12][CH2:13][CH2:14][N:15]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:23]2)[cH:24]1 KJJSHOHQQHACLE-UHFFFAOYSA-N.WLAZHMYDLUILKR-VIFPVBQESA-N>>ZASLQANETYHZDW-CYBMUJFWSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:8]-[c:7]:[c:6]:[#7;a:5]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[#7;a:5]:[c:6]:[c:7]-[OH;D1;+0:8] 084bec53a4890fe38087b4232dc3f1bec2f9bd01bd85487054c60b2ce3f1955c [CH3:1][C@H:2]1[CH2:3][C:4](=[O:5])[CH:6]=[C:7]2[CH2:8][CH2:9][C@H:10]3[C@@H:11]4[CH2:12][CH2:13][C@H:14]([OH:15])[C@@:16]4([CH3:17])[CH2:18][CH2:19][C@@H:20]3[C@@:21]12[CH3:22]>C1CCOC1.CC(C)(C)O.N.[Li]>[CH3:1][C@H:2]1[CH2:3][C:4](=[O:5])[CH2:6][C@@H:7]2[CH2:8][CH2:9][C@H:10]3[C@@H:11]4[CH2:12][CH2:13][C@H:14]([OH:15])[C@@:16]4([CH3:17])[CH2:18][CH2:19][C@@H:20]3[C@@:21]12[CH3:22] KROXBRXHRBCDNO-IFMMWYRXSA-N>>UXYRZJKIQKRJCF-TZPFWLJSSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[CH2;D2;+0:4]-[C:5]=[O;D1;H0:6]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[CH;D2;+0:4]-[C:5]=[O;D1;H0:6] e8d4f1f8149597570a8322f400fb98a7d2abf7f149d24a71d72a23f2556221b5 CC(C)c1cc(C(C)C)c(S(=O)(=O)[N:3]=[N+:2]=[N-:1])c(C(C)C)c1.[CH2:4]([C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[C@H:20]([c:21]1[cH:22][c:23]([F:24])[cH:25][c:26]([F:27])[cH:28]1)[C:29]([F:30])([F:31])[F:32]>>[N-:1]=[N+:2]=[N:3][C@@H:4]([C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[C@H:20]([c:21]1[cH:22][c:23]([F:24])[cH:25][c:26]([F:27])[cH:28]1)[C:29]([F:30])([F:31])[F:32] AEMWUHCKKDPRSK-UHFFFAOYSA-N.OSFFQDBQZLXWDI-DLBZAZTESA-N>>HOSMNOALAMZQET-YESZJQIVSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@@H;D3;+0:7](-[C:8])-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]>>C-C(-C)-c1:c:c(-C(-C)-C):c(-S(=O)(=O)-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]):c(-C(-C)-C):c:1.[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 4c0f6ca368fbf857164c4fb998a90b6e130520568e25b67502e84f69dc9edcb6 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@H:9]1[CH2:10][S:11][CH2:12][C@@H:13]([CH2:14][c:15]2[cH:16][c:17]([F:18])[c:19]([N+:20](=[O:21])[O-:22])[cH:23][cH:24]2)[C:25]1=[O:26]>C1CCOC1.C1CCOCC1.C1CCOCC1.O=S(=O)(O)O.[B-].[B-].[Ca+2].[K+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@H:9]1[CH2:10][S:11][CH2:12][C@@H:13]([CH2:14][c:15]2[cH:16][c:17]([F:18])[c:19]([N+:20](=[O:21])[O-:22])[cH:23][cH:24]2)[C@@H:25]1[OH:26] ZIALPENHJCLNER-YPMHNXCESA-N>>IXQYECNQJZOQSK-ZLDLUXBVSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][CH2:2][CH2:3][CH2:4][c:5]1[c:6]([NH:7][C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]([F:19])[cH:20][c:21]([CH2:22][C@@H:23]2[CH2:24][S:25][CH2:26][C@H:27]([NH:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[C:36]2=[O:37])[cH:38]1>C1CCOC1.CCOC(C)=O.Cc1ccccc1.N>[CH3:1][CH2:2][CH2:3][CH2:4][c:5]1[c:6]([NH:7][C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]([F:19])[cH:20][c:21]([CH2:22][C@@H:23]2[CH2:24][S:25][CH2:26][C@H:27]([NH:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[C@H:36]2[OH:37])[cH:38]1 KJGQWEZXNGWOLG-VWNXMTODSA-N>>ZSDBFUAAKLMQJN-CWDLOFLHSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][O:2][c:3]1[c:4]([Br:5])[cH:6][c:7]([CH2:8][C@@H:9]2[CH2:10][S:11](=[O:12])(=[O:13])[CH2:14][C@H:15]([NH:16][C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[C:24]2=[O:25])[cH:26][cH:27]1>C1CCOC1.[Al+3].[HH].[HH].[HH].[HH].[Li+]>[CH3:1][O:2][c:3]1[c:4]([Br:5])[cH:6][c:7]([CH2:8][C@@H:9]2[CH2:10][S:11](=[O:12])(=[O:13])[CH2:14][C@H:15]([NH:16][C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[C@H:24]2[OH:25])[cH:26][cH:27]1 KYVYONWGLRCSBV-OCCSQVGLSA-N>>UNNUACIMQXKZCP-INWMFGNUSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][O:2][C:3](=[O:4])/[C:5](=[CH:6]/[c:7]1[c:8]([O:9][CH3:10])[cH:11][cH:12][c:13]([Br:14])[cH:15]1)[NH:16][C:17](=[O:18])[O:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1>CC[C@H]1CC[C@H](CC)P1c1ccccc1P1[C@@H](CC)CC[C@@H]1CC.CO.F[B-](F)(F)F.[CH]1[CH]CC[CH][CH]CC1.[Rh]>[CH3:1][O:2][C:3](=[O:4])[C@H:5]([CH2:6][c:7]1[c:8]([O:9][CH3:10])[cH:11][cH:12][c:13]([Br:14])[cH:15]1)[NH:16][C:17](=[O:18])[O:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1 VFMPJAJSFVOBIL-WJDWOHSUSA-N>>NTIQUHVUCKBRKI-INIZCTEOSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[#7:6]-[C:7](=[O;D1;H0:8])-[#8:9]-[C:10]-[c:11]1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)-[CH2;D2;+0:17]-[c:18]>>[C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])/[C;H0;D3;+0:5](-[#7:6]-[C:7](=[O;D1;H0:8])-[#8:9]-[C:10]-[c:11]1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)=[CH;D2;+0:17]/[c:18] d0528a097f1b5b24028f1e1aa4b97ac345be25f60238782299c8f67ff767c0d7 [CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][cH:8][c:9]([C:10]2([NH:11][C@H:12]3[CH2:13][S:14](=[O:15])(=[O:16])[CH2:17][C@@H:18]([CH2:19][c:20]4[cH:21][cH:22][c:23]([Br:24])[cH:25][cH:26]4)[C:27]3=[O:28])[CH2:29][CH2:30]2)[cH:31]1>C1CCOC1.O.[Na+].O>[CH3:1][C:2]([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][cH:8][c:9]([C:10]2([NH:11][C@H:12]3[CH2:13][S:14](=[O:15])(=[O:16])[CH2:17][C@@H:18]([CH2:19][c:20]4[cH:21][cH:22][c:23]([Br:24])[cH:25][cH:26]4)[C@@H:27]3[OH:28])[CH2:29][CH2:30]2)[cH:31]1 AYHRQOYDUBIEMS-GCJKJVERSA-N>>QNQVJAJTTLGVOH-LEOXJPRUSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][CH:2]([CH3:3])[O:4][C:5](=[O:6])[c:7]1[cH:8][cH:9][c:10]([CH2:11][CH2:12][CH2:13][N:14]2[C:15](=[O:16])[O:17][CH2:18][CH2:19][C@@H:20]2/[CH:21]=[CH:22]/[C:23](=[O:24])[C:25]([F:26])([F:27])[c:28]2[cH:29][c:30]([Br:31])[cH:32][cH:33][cH:34]2)[s:35]1>CCN(CC)CC.ClCCl.O=CO>[CH3:1][CH:2]([CH3:3])[O:4][C:5](=[O:6])[c:7]1[cH:8][cH:9][c:10]([CH2:11][CH2:12][CH2:13][N:14]2[C:15](=[O:16])[O:17][CH2:18][CH2:19][C@@H:20]2/[CH:21]=[CH:22]/[C@@H:23]([OH:24])[C:25]([F:26])([F:27])[c:28]2[cH:29][c:30]([Br:31])[cH:32][cH:33][cH:34]2)[s:35]1 NSEHPRXYDJZYNH-BLRBJFNZSA-N>>MNEGNUNRBQPWIB-FURWVBSLSA-N 0.0 Unrecognized False substrate controlled False [C:1]/[C:2]=[C:3]/[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[C:1]/[C:2]=[C:3]/[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] aa0c5d364c7b0880336e4d2a527b429971b8f795c3ee991061e4feff1f6058c0 CS(=O)(=O)O[C@H:4]1[CH2:5][CH2:6][N:7]([C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH2:18][C@H:19]1[F:20].[N-:1]=[N+:2]=[N-:3]>CN(C)C=O.O.Cl.[Na+].[Na+]>[N-:1]=[N+:2]=[N:3][C@@H:4]1[CH2:5][CH2:6][N:7]([C:8](=[O:9])[O:10][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH2:18][C@H:19]1[F:20] IVRMZWNICZWHMI-UHFFFAOYSA-N.NJALJABJKAUGCY-OLZOCXBDSA-N>>ILPIDSLFVPNOPM-VXGBXAGGSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] e79cd9ff929b7823a9a1d3ebd47f2eb0444b747171361724dee4b1aadfcac2ef [CH3:1][O:2][C:3](=[O:4])[C@@H:5]1[CH2:6][CH2:7][C:8](=[O:9])[CH2:10][N:11]1[C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18]>CO.B.[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]1[CH2:6][CH2:7][C@H:8]([OH:9])[CH2:10][N:11]1[C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18] UCRLFGKYCFXSEA-VIFPVBQESA-N>>SCKQPFVBRJQINF-IUCAKERBSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 24a10c55c777a445640c9a082c0e3e06b05e2ae67a251c9c99a2481cce24d018 CS(=O)(=O)O[C@@H:20]1[C@@H:15]([n:14]2[c:7](-[c:8]3[cH:9][cH:10][cH:11][cH:12][cH:13]3)[c:6]([C:4]([O:3][CH2:2][CH3:1])=[O:5])[n:25][cH:24]2)[CH2:16][CH2:17][CH2:18][CH2:19]1.[N-:21]=[N+:22]=[N-:23]>CS(C)=O.[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[c:7](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[n:14]([C@H:15]2[CH2:16][CH2:17][CH2:18][CH2:19][C@H:20]2[N:21]=[N+:22]=[N-:23])[cH:24][n:25]1 DMCNXSGWRFBJKO-HOTGVXAUSA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>BDOQTGXZMCOMLG-CABCVRRESA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 492c430f48d637aab0c971721cb4d8366eed9f75b9bf7a9ee5b238cfd7eb0d61 [CH3:1][O:2][C:3](=[O:4])/[C:5](=[CH:6]/[c:7]1[c:8]([O:9][CH3:10])[cH:11][cH:12][c:13]([Br:14])[cH:15]1)[NH:16][C:17](=[O:18])[O:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1>CC[C@H]1CC[C@H](CC)P1c1ccccc1P1[C@@H](CC)CC[C@@H]1CC.CO.F[B-](F)(F)F.[CH]1[CH]CC[CH][CH]CC1.[Rh]>[CH3:1][O:2][C:3](=[O:4])[C@H:5]([CH2:6][c:7]1[c:8]([O:9][CH3:10])[cH:11][cH:12][c:13]([Br:14])[cH:15]1)[NH:16][C:17](=[O:18])[O:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1 VFMPJAJSFVOBIL-WJDWOHSUSA-N>>NTIQUHVUCKBRKI-INIZCTEOSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[#7:6]-[C:7](=[O;D1;H0:8])-[#8:9]-[C:10]-[c:11]1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)-[CH2;D2;+0:17]-[c:18]>>[C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])/[C;H0;D3;+0:5](-[#7:6]-[C:7](=[O;D1;H0:8])-[#8:9]-[C:10]-[c:11]1:[c:12]:[c:13]:[c:14]:[c:15]:[c:16]:1)=[CH;D2;+0:17]/[c:18] ce1b37cde2c7b399d0a65805785278a7eac42c1f316b113baa94dc4034d73493 CC[O:14][C:12]([CH2:11][C@H:10]1[O:9][C@H:8]([c:7]2[cH:6][cH:5][cH:4][c:3]([O:2][CH3:1])[c:31]2[O:32][CH3:33])[c:25]2[c:15]([cH:30][cH:29][c:27]([Cl:28])[cH:26]2)-[n:23]2[c:18]([C:19]([F:20])([F:21])[F:22])[n:17][n:16][c:24]21)=[O:13]>C1COCCO1.CCOC(C)=O.Cl>[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([C@H:8]2[O:9][C@H:10]([CH2:11][C:12](=[O:13])[OH:14])[c:15]3[n:16][n:17][c:18]([C:19]([F:20])([F:21])[F:22])[n:23]3-[c:24]3[c:25]2[cH:26][c:27]([Cl:28])[cH:29][cH:30]3)[c:31]1[O:32][CH3:33] YFHGUJPWRHZHAR-IEBWSBKVSA-N>>CLNBTMLPGBASRD-NVXWUHKLSA-N 0.0 Unrecognized False stereospecific False [O;D1;H0:3]=[C:2](-[OH;D1;+0:1])-[C:4]-[C@H;D3;+0:5]1-[#8:6]-[C:7](-[c:8]2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2)-[c;H0;D3;+0:14]2:[c:15]:[c:16]:[c:17]:[cH;D2;+0:18]:[c;H0;D3;+0:24]:2-[n;H0;D3;+0:20]2:[c:21]:[#7;a:22]:[n;H0;D2;+0:23]:[c;H0;D3;+0:19]:2-1>>C-C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[C:4]-[C@H;D3;+0:5]1-[#8:6]-[C:7](-[c:8]2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2)-[c;H0;D3;+0:14]2:[c:15]:[c:16]:[c:17]:[cH;D2;+0:18]:[c;H0;D3;+0:19]:2-[n;H0;D3;+0:20]2:[c:21]:[#7;a:22]:[n;H0;D2;+0:23]:[c;H0;D3;+0:24]:2-1 883780ae1f07da248fd08087a0214521d3c8123843e6b1dd720aca800eb83835 CC[O:14][C:12]([CH2:11][C@H:10]1[O:9][C@H:8]([c:7]2[cH:6][cH:5][cH:4][c:3]([O:2][CH3:1])[c:31]2[O:32][CH:33]([F:34])[F:35])[c:25]2[c:15]([cH:30][cH:29][c:27]([Cl:28])[cH:26]2)-[n:23]2[c:18]([C:19]([F:20])([F:21])[F:22])[n:17][n:16][c:24]21)=[O:13]>C1COCCO1.CCCCCC.Cl.ClCCl>[CH3:1][O:2][c:3]1[cH:4][cH:5][cH:6][c:7]([C@H:8]2[O:9][C@H:10]([CH2:11][C:12](=[O:13])[OH:14])[c:15]3[n:16][n:17][c:18]([C:19]([F:20])([F:21])[F:22])[n:23]3-[c:24]3[c:25]2[cH:26][c:27]([Cl:28])[cH:29][cH:30]3)[c:31]1[O:32][CH:33]([F:34])[F:35] KTKNTJWNIMFRRA-SJLPKXTDSA-N>>ZANKPPONFIVXOV-GDBMZVCRSA-N 0.0 Unrecognized False stereospecific False [O;D1;H0:3]=[C:2](-[OH;D1;+0:1])-[C:4]-[C@H;D3;+0:5]1-[#8:6]-[C:7](-[c:8]2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2)-[c;H0;D3;+0:14]2:[c:15]:[c:16]:[c:17]:[cH;D2;+0:18]:[c;H0;D3;+0:24]:2-[n;H0;D3;+0:20]2:[c:21]:[#7;a:22]:[n;H0;D2;+0:23]:[c;H0;D3;+0:19]:2-1>>C-C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[C:4]-[C@H;D3;+0:5]1-[#8:6]-[C:7](-[c:8]2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2)-[c;H0;D3;+0:14]2:[c:15]:[c:16]:[c:17]:[cH;D2;+0:18]:[c;H0;D3;+0:19]:2-[n;H0;D3;+0:20]2:[c:21]:[#7;a:22]:[n;H0;D2;+0:23]:[c;H0;D3;+0:24]:2-1 883780ae1f07da248fd08087a0214521d3c8123843e6b1dd720aca800eb83835 CC[O:14][C:12]([CH2:11][C@H:10]1[O:9][C@H:8]([c:7]2[cH:6][cH:5][cH:4][c:3]([CH2:2][CH3:1])[c:31]2[O:32][CH3:33])[c:25]2[c:15]([cH:30][cH:29][c:27]([Cl:28])[cH:26]2)-[n:23]2[c:18]([C:19]([F:20])([F:21])[F:22])[n:17][n:16][c:24]21)=[O:13]>C1COCCO1.Cl.O=C(O)CC(O)(CC(=O)O)C(=O)O>[CH3:1][CH2:2][c:3]1[cH:4][cH:5][cH:6][c:7]([C@H:8]2[O:9][C@H:10]([CH2:11][C:12](=[O:13])[OH:14])[c:15]3[n:16][n:17][c:18]([C:19]([F:20])([F:21])[F:22])[n:23]3-[c:24]3[c:25]2[cH:26][c:27]([Cl:28])[cH:29][cH:30]3)[c:31]1[O:32][CH3:33] KAKKMSXCZYCANA-WIYYLYMNSA-N>>NNTYMMGSTWNGLB-VQIMIIECSA-N 0.0 Unrecognized False stereospecific False [O;D1;H0:3]=[C:2](-[OH;D1;+0:1])-[C:4]-[C@H;D3;+0:5]1-[#8:6]-[C:7](-[c:8]2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2)-[c;H0;D3;+0:14]2:[c:15]:[c:16]:[c:17]:[cH;D2;+0:18]:[c;H0;D3;+0:24]:2-[n;H0;D3;+0:20]2:[c:21]:[#7;a:22]:[n;H0;D2;+0:23]:[c;H0;D3;+0:19]:2-1>>C-C-[O;H0;D2;+0:1]-[C:2](=[O;D1;H0:3])-[C:4]-[C@H;D3;+0:5]1-[#8:6]-[C:7](-[c:8]2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2)-[c;H0;D3;+0:14]2:[c:15]:[c:16]:[c:17]:[cH;D2;+0:18]:[c;H0;D3;+0:19]:2-[n;H0;D3;+0:20]2:[c:21]:[#7;a:22]:[n;H0;D2;+0:23]:[c;H0;D3;+0:24]:2-1 883780ae1f07da248fd08087a0214521d3c8123843e6b1dd720aca800eb83835 O[C@@H:5]([CH3:6])[c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1.[CH3:1][C@@H:2]1[CH2:3][NH:4][CH2:13][CH2:14][NH:15]1>CCOC(C)=O.CO.CS(=O)(=O)Cl.CS(=O)(=O)O>[CH3:1][C@@H:2]1[CH2:3][N:4]([C@H:5]([CH3:6])[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[CH2:13][CH2:14][NH:15]1 JOMNTHCQHJPVAZ-RXMQYKEDSA-N.WAPNOHKVXSQRPX-ZETCQYMHSA-N>>BSCAKPUCIVEMBJ-VXGBXAGGSA-N 0.0 Unrecognized False stereospecific False [C:4]-[N;H0;D3;+0:5](-[C:6])-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3].[C:4]-[NH;D2;+0:5]-[C:6] 51db501bb86e3bd6427917357f46708996b303f95a489629b8f2b6c92257d268 O[C@@H:5]([CH3:6])[c:7]1[cH:8][cH:9][c:10]([F:11])[cH:12][cH:13]1.[CH3:1][C@@H:2]1[CH2:3][NH:4][CH2:14][CH2:15][NH:16]1>CCOC(C)=O.CO.CS(=O)(=O)Cl.CS(=O)(=O)O>[CH3:1][C@@H:2]1[CH2:3][N:4]([C@H:5]([CH3:6])[c:7]2[cH:8][cH:9][c:10]([F:11])[cH:12][cH:13]2)[CH2:14][CH2:15][NH:16]1 JOMNTHCQHJPVAZ-RXMQYKEDSA-N.PSDSORRYQPTKSV-LURJTMIESA-N>>FZPXVUQHMAPXQZ-GHMZBOCLSA-N 0.0 Unrecognized False stereospecific False [C:4]-[N;H0;D3;+0:5](-[C:6])-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3].[C:4]-[NH;D2;+0:5]-[C:6] 51db501bb86e3bd6427917357f46708996b303f95a489629b8f2b6c92257d268 O[C@@H:5]([CH3:6])[c:7]1[c:8]([F:9])[c:10]([F:11])[cH:12][c:13]([F:14])[cH:15]1.[CH3:1][C@@H:2]1[CH2:3][NH:4][CH2:16][CH2:17][NH:18]1>CC1(C)CCCC(C)(C)N1.CS(=O)(=O)Cl.CS(=O)(=O)O>[CH3:1][C@@H:2]1[CH2:3][N:4]([C@H:5]([CH3:6])[c:7]2[c:8]([F:9])[c:10]([F:11])[cH:12][c:13]([F:14])[cH:15]2)[CH2:16][CH2:17][NH:18]1 JOMNTHCQHJPVAZ-RXMQYKEDSA-N.SNRMWNLIPPBFDR-BYPYZUCNSA-N>>XJIOCNYNBZDYHS-RKDXNWHRSA-N 0.0 Unrecognized False stereospecific False [C:4]-[N;H0;D3;+0:5](-[C:6])-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3].[C:4]-[NH;D2;+0:5]-[C:6] 51db501bb86e3bd6427917357f46708996b303f95a489629b8f2b6c92257d268 O[C@H:2]([CH3:1])[c:3]1[c:4]([F:5])[c:6]([F:7])[cH:8][c:9]([F:10])[cH:11]1.[NH:12]1[CH2:13][CH2:14][NH:15][C@H:16]([CH3:17])[CH2:18]1>CC1(C)CCCC(C)(C)N1.CS(=O)(=O)Cl.CS(=O)(=O)O>[CH3:1][C@@H:2]([c:3]1[c:4]([F:5])[c:6]([F:7])[cH:8][c:9]([F:10])[cH:11]1)[N:12]1[CH2:13][CH2:14][NH:15][C@H:16]([CH3:17])[CH2:18]1 JOMNTHCQHJPVAZ-RXMQYKEDSA-N.SNRMWNLIPPBFDR-SCSAIBSYSA-N>>XJIOCNYNBZDYHS-BDAKNGLRSA-N 0.0 Unrecognized False stereospecific False [C:4]-[N;H0;D3;+0:5](-[C:6])-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>O-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3].[C:4]-[NH;D2;+0:5]-[C:6] 6a091027dd8f02fdedf51754c692507b909b31998f77ca24609e4e648b0a6fcd O[C@@H:5]([CH3:6])[c:7]1[cH:8][c:9]([F:10])[cH:11][c:12]([F:13])[cH:14]1.[CH3:1][C@@H:2]1[CH2:3][NH:4][CH2:15][CH2:16][NH:17]1>CS(=O)(=O)Cl.CS(=O)(=O)O>[CH3:1][C@@H:2]1[CH2:3][N:4]([C@H:5]([CH3:6])[c:7]2[cH:8][c:9]([F:10])[cH:11][c:12]([F:13])[cH:14]2)[CH2:15][CH2:16][NH:17]1 JOMNTHCQHJPVAZ-RXMQYKEDSA-N.UEGDJZYKJPZJAA-YFKPBYRVSA-N>>UMNJDJXKHMUCMB-NXEZZACHSA-N 0.0 Unrecognized False stereospecific False [C:4]-[N;H0;D3;+0:5](-[C:6])-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3].[C:4]-[NH;D2;+0:5]-[C:6] 51db501bb86e3bd6427917357f46708996b303f95a489629b8f2b6c92257d268 O[C@H:2]([CH3:1])[c:3]1[cH:4][c:5]([F:6])[cH:7][c:8]([F:9])[cH:10]1.[NH:11]1[CH2:12][CH2:13][NH:14][C@H:15]([CH3:16])[CH2:17]1>CS(=O)(=O)Cl.CS(=O)(=O)O>[CH3:1][C@@H:2]([c:3]1[cH:4][c:5]([F:6])[cH:7][c:8]([F:9])[cH:10]1)[N:11]1[CH2:12][CH2:13][NH:14][C@H:15]([CH3:16])[CH2:17]1 JOMNTHCQHJPVAZ-RXMQYKEDSA-N.UEGDJZYKJPZJAA-RXMQYKEDSA-N>>UMNJDJXKHMUCMB-ZJUUUORDSA-N 0.0 Unrecognized False stereospecific False [C:4]-[N;H0;D3;+0:5](-[C:6])-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>O-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3].[C:4]-[NH;D2;+0:5]-[C:6] 6a091027dd8f02fdedf51754c692507b909b31998f77ca24609e4e648b0a6fcd O[C@@H:5]([CH3:6])[c:7]1[cH:8][c:9]([F:10])[c:11]([F:12])[c:13]([F:14])[cH:15]1.[CH3:1][C@@H:2]1[CH2:3][NH:4][CH2:16][CH2:17][NH:18]1>CS(=O)(=O)Cl.CS(=O)(=O)O>[CH3:1][C@@H:2]1[CH2:3][N:4]([C@H:5]([CH3:6])[c:7]2[cH:8][c:9]([F:10])[c:11]([F:12])[c:13]([F:14])[cH:15]2)[CH2:16][CH2:17][NH:18]1 JOMNTHCQHJPVAZ-RXMQYKEDSA-N.NAYLCQZIPKCMBT-BYPYZUCNSA-N>>PGQVIIJSYWYPHX-RKDXNWHRSA-N 0.0 Unrecognized False stereospecific False [C:4]-[N;H0;D3;+0:5](-[C:6])-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3].[C:4]-[NH;D2;+0:5]-[C:6] 51db501bb86e3bd6427917357f46708996b303f95a489629b8f2b6c92257d268 O[C@H:2]([CH3:1])[c:3]1[cH:4][c:5]([F:6])[c:7]([F:8])[c:9]([F:10])[cH:11]1.[NH:12]1[CH2:13][CH2:14][NH:15][C@H:16]([CH3:17])[CH2:18]1>CC1(C)CCCC(C)(C)N1.CS(=O)(=O)Cl.CS(=O)(=O)O>[CH3:1][C@@H:2]([c:3]1[cH:4][c:5]([F:6])[c:7]([F:8])[c:9]([F:10])[cH:11]1)[N:12]1[CH2:13][CH2:14][NH:15][C@H:16]([CH3:17])[CH2:18]1 JOMNTHCQHJPVAZ-RXMQYKEDSA-N.NAYLCQZIPKCMBT-SCSAIBSYSA-N>>PGQVIIJSYWYPHX-BDAKNGLRSA-N 0.0 Unrecognized False stereospecific False [C:4]-[N;H0;D3;+0:5](-[C:6])-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>O-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3].[C:4]-[NH;D2;+0:5]-[C:6] 6a091027dd8f02fdedf51754c692507b909b31998f77ca24609e4e648b0a6fcd O[C@@H:5]([CH3:6])[c:7]1[cH:8][c:9]([F:10])[c:11]([F:12])[cH:13][cH:14]1.[CH3:1][C@@H:2]1[CH2:3][NH:4][CH2:15][CH2:16][NH:17]1>CC1(C)CCCC(C)(C)N1.CCOC(C)=O.CO.CS(=O)(=O)Cl.CS(=O)(=O)O>[CH3:1][C@@H:2]1[CH2:3][N:4]([C@H:5]([CH3:6])[c:7]2[cH:8][c:9]([F:10])[c:11]([F:12])[cH:13][cH:14]2)[CH2:15][CH2:16][NH:17]1 JOMNTHCQHJPVAZ-RXMQYKEDSA-N.WSIJRUFDDILTTN-YFKPBYRVSA-N>>RMKCONXRBSJSKX-NXEZZACHSA-N 0.0 Unrecognized False stereospecific False [C:4]-[N;H0;D3;+0:5](-[C:6])-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3].[C:4]-[NH;D2;+0:5]-[C:6] 51db501bb86e3bd6427917357f46708996b303f95a489629b8f2b6c92257d268 O[C@H:2]([CH3:1])[c:3]1[cH:4][c:5]([F:6])[c:7]([F:8])[cH:9][cH:10]1.[NH:11]1[CH2:12][CH2:13][NH:14][C@H:15]([CH3:16])[CH2:17]1>CS(=O)(=O)Cl.CS(=O)(=O)O>[CH3:1][C@@H:2]([c:3]1[cH:4][c:5]([F:6])[c:7]([F:8])[cH:9][cH:10]1)[N:11]1[CH2:12][CH2:13][NH:14][C@H:15]([CH3:16])[CH2:17]1 JOMNTHCQHJPVAZ-RXMQYKEDSA-N.WSIJRUFDDILTTN-RXMQYKEDSA-N>>RMKCONXRBSJSKX-ZJUUUORDSA-N 0.0 Unrecognized False stereospecific False [C:4]-[N;H0;D3;+0:5](-[C:6])-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>O-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3].[C:4]-[NH;D2;+0:5]-[C:6] 6a091027dd8f02fdedf51754c692507b909b31998f77ca24609e4e648b0a6fcd O[C@H:17]([CH3:18])[c:19]1[cH:20][cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:7]2[n:8][c:9]3[c:10]([C:11](=[O:12])[N:13]4[CH2:14][CH2:15][NH:16][CH2:27][C@H:28]4[CH3:29])[cH:30][n:31][n:32]3[c:33]([C:34]([F:35])([F:36])[F:37])[c:38]2[CH3:39])[cH:40][cH:41]1>CCOC(C)=O.CS(=O)(=O)Cl.CS(=O)(=O)O>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:7]2[n:8][c:9]3[c:10]([C:11](=[O:12])[N:13]4[CH2:14][CH2:15][N:16]([C@@H:17]([CH3:18])[c:19]5[cH:20][cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26]5)[CH2:27][C@H:28]4[CH3:29])[cH:30][n:31][n:32]3[c:33]([C:34]([F:35])([F:36])[F:37])[c:38]2[CH3:39])[cH:40][cH:41]1 OGOHQKPTHSTSDN-GFCCVEGCSA-N.XGAVOODMMBMCKV-SSDOTTSWSA-N>>WGKJHQPCBHDMQC-QUCCMNQESA-N 0.0 Unrecognized False stereospecific False [C:4]-[N;H0;D3;+0:5](-[C:6])-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>O-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3].[C:4]-[NH;D2;+0:5]-[C:6] 6a091027dd8f02fdedf51754c692507b909b31998f77ca24609e4e648b0a6fcd O[C@H:17]([CH3:18])[c:19]1[cH:20][cH:21][cH:22][c:23]([C:24]#[N:25])[cH:26]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:7]2[n:8][c:9]3[c:10]([C:11](=[O:12])[N:13]4[CH2:14][CH2:15][NH:16][CH2:27][C@H:28]4[CH3:29])[cH:30][n:31][n:32]3[c:33]([C:34]([F:35])([F:36])[F:37])[c:38]2[CH3:39])[cH:40][cH:41]1>CCOC(C)=O.CS(=O)(=O)Cl.CS(=O)(=O)O>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:7]2[n:8][c:9]3[c:10]([C:11](=[O:12])[N:13]4[CH2:14][CH2:15][N:16]([C@@H:17]([CH3:18])[c:19]5[cH:20][cH:21][cH:22][c:23]([C:24]#[N:25])[cH:26]5)[CH2:27][C@H:28]4[CH3:29])[cH:30][n:31][n:32]3[c:33]([C:34]([F:35])([F:36])[F:37])[c:38]2[CH3:39])[cH:40][cH:41]1 OGOHQKPTHSTSDN-GFCCVEGCSA-N.ZGFGALOARUPOBS-SSDOTTSWSA-N>>SHCFEVXKZGVWKV-QUCCMNQESA-N 0.0 Unrecognized False stereospecific False [C:4]-[N;H0;D3;+0:5](-[C:6])-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>O-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3].[C:4]-[NH;D2;+0:5]-[C:6] 6a091027dd8f02fdedf51754c692507b909b31998f77ca24609e4e648b0a6fcd O[C@H:17]([CH3:18])[c:19]1[c:20]([C:21]#[N:22])[cH:23][cH:24][cH:25][cH:26]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:7]2[n:8][c:9]3[c:10]([C:11](=[O:12])[N:13]4[CH2:14][CH2:15][NH:16][CH2:27][C@H:28]4[CH3:29])[cH:30][n:31][n:32]3[c:33]([C:34]([F:35])([F:36])[F:37])[c:38]2[CH3:39])[cH:40][cH:41]1>CCOC(C)=O.CS(=O)(=O)Cl.CS(=O)(=O)O>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:7]2[n:8][c:9]3[c:10]([C:11](=[O:12])[N:13]4[CH2:14][CH2:15][N:16]([C@@H:17]([CH3:18])[c:19]5[c:20]([C:21]#[N:22])[cH:23][cH:24][cH:25][cH:26]5)[CH2:27][C@H:28]4[CH3:29])[cH:30][n:31][n:32]3[c:33]([C:34]([F:35])([F:36])[F:37])[c:38]2[CH3:39])[cH:40][cH:41]1 OGOHQKPTHSTSDN-GFCCVEGCSA-N.QUUYOBOUUVMQCH-SSDOTTSWSA-N>>MCNRTTNPKLPRRL-QUCCMNQESA-N 0.0 Unrecognized False stereospecific False [C:4]-[N;H0;D3;+0:5](-[C:6])-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>O-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3].[C:4]-[NH;D2;+0:5]-[C:6] 6a091027dd8f02fdedf51754c692507b909b31998f77ca24609e4e648b0a6fcd O[C@H:17]([CH3:18])[c:19]1[cH:20][cH:21][c:22]([S:23]([CH3:24])(=[O:25])=[O:26])[cH:27][cH:28]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:7]2[n:8][c:9]3[c:10]([C:11](=[O:12])[N:13]4[CH2:14][CH2:15][NH:16][CH2:29][C@H:30]4[CH3:31])[cH:32][n:33][n:34]3[c:35]([C:36]([F:37])([F:38])[F:39])[c:40]2[CH3:41])[cH:42][cH:43]1>CCOC(C)=O.CS(=O)(=O)Cl.CS(=O)(=O)O>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:7]2[n:8][c:9]3[c:10]([C:11](=[O:12])[N:13]4[CH2:14][CH2:15][N:16]([C@@H:17]([CH3:18])[c:19]5[cH:20][cH:21][c:22]([S:23]([CH3:24])(=[O:25])=[O:26])[cH:27][cH:28]5)[CH2:29][C@H:30]4[CH3:31])[cH:32][n:33][n:34]3[c:35]([C:36]([F:37])([F:38])[F:39])[c:40]2[CH3:41])[cH:42][cH:43]1 NYXCSMWVRWOPJP-SSDOTTSWSA-N.OGOHQKPTHSTSDN-GFCCVEGCSA-N>>AILUUOJVQGSPOO-QUCCMNQESA-N 0.0 Unrecognized False stereospecific False [C:4]-[N;H0;D3;+0:5](-[C:6])-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>O-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3].[C:4]-[NH;D2;+0:5]-[C:6] 6a091027dd8f02fdedf51754c692507b909b31998f77ca24609e4e648b0a6fcd O[C@H:17]([CH3:18])[c:19]1[cH:20][cH:21][n:22][cH:23][cH:24]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:7]2[n:8][c:9]3[c:10]([C:11](=[O:12])[N:13]4[CH2:14][CH2:15][NH:16][CH2:25][C@H:26]4[CH3:27])[cH:28][n:29][n:30]3[c:31]([C:32]([F:33])([F:34])[F:35])[c:36]2[CH3:37])[cH:38][cH:39]1>CO.CS(=O)(=O)Cl.CS(=O)(=O)O.ClCCl>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:7]2[n:8][c:9]3[c:10]([C:11](=[O:12])[N:13]4[CH2:14][CH2:15][N:16]([C@@H:17]([CH3:18])[c:19]5[cH:20][cH:21][n:22][cH:23][cH:24]5)[CH2:25][C@H:26]4[CH3:27])[cH:28][n:29][n:30]3[c:31]([C:32]([F:33])([F:34])[F:35])[c:36]2[CH3:37])[cH:38][cH:39]1 HVOAMIOKNARIMR-ZCFIWIBFSA-N.OGOHQKPTHSTSDN-GFCCVEGCSA-N>>GNGILDNJYURXEX-MJGOQNOKSA-N 0.0 Unrecognized False stereospecific False [C:4]-[N;H0;D3;+0:5](-[C:6])-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>O-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3].[C:4]-[NH;D2;+0:5]-[C:6] 6a091027dd8f02fdedf51754c692507b909b31998f77ca24609e4e648b0a6fcd O=[CH:19][C@@H:10]1[CH2:9][N:8]([C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:24][C@H:18]1[CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1.[NH2:20][CH:21]1[CH2:22][CH2:23]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C@@H:10]([CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[C@H:18]([CH2:19][NH:20][CH:21]2[CH2:22][CH2:23]2)[CH2:24]1 HTJDQJBWANPRPF-UHFFFAOYSA-N.KOKMBEVRWKOUHC-CABCVRRESA-N>>UVGICNFGMNDCGR-IAGOWNOFSA-N 0.0 Unrecognized False stereospecific False [C:9]-[NH;D2;+0:10]-[CH2;D2;+0:1]-[C@@H;D3;+0:6]1-[C:5]-[#7:4]-[C:3]-[C@H;D3;+0:2]-1-[CH2;D2;+0:7]-[c:8]>>O=[CH;D2;+0:1]-[C@@H;D3;+0:2]1-[C:3]-[#7:4]-[C:5]-[C@H;D3;+0:6]-1-[CH2;D2;+0:7]-[c:8].[C:9]-[NH2;D1;+0:10] a5bfe3bb711f82c6684c5ad9e5961fc829450a91ae62694d470700ba85f3a046 O=[CH:19][C@@H:10]1[CH2:9][N:8]([C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:25][C@H:18]1[CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1.[NH2:20][CH2:21][CH:22]1[CH2:23][CH2:24]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C@@H:10]([CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[C@H:18]([CH2:19][NH:20][CH2:21][CH:22]2[CH2:23][CH2:24]2)[CH2:25]1 IGSKHXTUVXSOMB-UHFFFAOYSA-N.KOKMBEVRWKOUHC-CABCVRRESA-N>>HDIUSCRYDNYNQQ-RTBURBONSA-N 0.0 Unrecognized False stereospecific False [C:9]-[NH;D2;+0:10]-[CH2;D2;+0:1]-[C@@H;D3;+0:6]1-[C:5]-[#7:4]-[C:3]-[C@H;D3;+0:2]-1-[CH2;D2;+0:7]-[c:8]>>O=[CH;D2;+0:1]-[C@@H;D3;+0:2]1-[C:3]-[#7:4]-[C:5]-[C@H;D3;+0:6]-1-[CH2;D2;+0:7]-[c:8].[C:9]-[NH2;D1;+0:10] a5bfe3bb711f82c6684c5ad9e5961fc829450a91ae62694d470700ba85f3a046 O=[CH:19][C@@H:10]1[CH2:9][N:8]([C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:25][C@H:18]1[CH2:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1.[NH2:20][CH:21]1[CH2:22][CH2:23][CH2:24]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C@@H:10]([CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[C@H:18]([CH2:19][NH:20][CH:21]2[CH2:22][CH2:23][CH2:24]2)[CH2:25]1 KOKMBEVRWKOUHC-CABCVRRESA-N.KZZKOVLJUKWSKX-UHFFFAOYSA-N>>UTBOARDAMHCERB-QZTJIDSGSA-N 0.0 Unrecognized False stereospecific False [C:9]-[NH;D2;+0:10]-[CH2;D2;+0:1]-[C@@H;D3;+0:6]1-[C:5]-[#7:4]-[C:3]-[C@H;D3;+0:2]-1-[CH2;D2;+0:7]-[c:8]>>O=[CH;D2;+0:1]-[C@@H;D3;+0:2]1-[C:3]-[#7:4]-[C:5]-[C@H;D3;+0:6]-1-[CH2;D2;+0:7]-[c:8].[C:9]-[NH2;D1;+0:10] a5bfe3bb711f82c6684c5ad9e5961fc829450a91ae62694d470700ba85f3a046 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH2:11][C@@H:12]([C:13](=[O:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:21]1>B1Oc2ccccc2O1.CCOCC.O>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH2:11][C@@H:12]([C@@H:13]([OH:14])[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:21]1 JTHREUKCPRMRTC-CQSZACIVSA-N>>AOHTUMSYIVWORQ-CABCVRRESA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 Cl[Mg][CH2:6][CH2:5][CH2:4][CH2:3][O:2][CH3:1].[C:7](=[O:8])([c:9]1[c:10]([C:11]2=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[c:17]([F:18])[cH:19][cH:20][cH:21]1)[C@@H:22]1[CH2:23][CH2:24][CH2:25][N:26]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:34]1>C1CCOC1>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][CH2:6][C@@:7]([OH:8])([c:9]1[c:10]([C:11]2=[CH:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[c:17]([F:18])[cH:19][cH:20][cH:21]1)[C@@H:22]1[CH2:23][CH2:24][CH2:25][N:26]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:34]1 QCIPGWRSPIFAAB-UHFFFAOYSA-M.SDRZBMKIXTUVIM-QGZVFWFLSA-N>>WGFRVJXNLWJYKO-DFHRPNOPSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@;H0;D4;+0:4](-[OH;D1;+0:5])(-[c:6])-[CH2;D2;+0:1]-[C:2]>>Cl-[Mg]-[CH2;D2;+0:1]-[C:2].[C:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[c:6] 9350ac5007752dafe80f3b1c1f4b7a7c1e44a921a081de76c8202d6f0d24cdab [CH3:1][CH:2]([CH3:3])[O:4][C:5](=[O:6])[c:7]1[cH:8][cH:9][c:10]([CH2:11][CH2:12][N:13]2[C:14](=[O:15])[O:16][CH2:17][CH2:18][C@@H:19]2/[CH:20]=[CH:21]/[C:22](=[O:23])[C:24]([F:25])([F:26])[c:27]2[cH:28][c:29]([Br:30])[cH:31][cH:32][cH:33]2)[cH:34][cH:35]1>CCN(CC)CC.ClCCl.O=CO>[CH3:1][CH:2]([CH3:3])[O:4][C:5](=[O:6])[c:7]1[cH:8][cH:9][c:10]([CH2:11][CH2:12][N:13]2[C:14](=[O:15])[O:16][CH2:17][CH2:18][C@@H:19]2/[CH:20]=[CH:21]/[C@@H:22]([OH:23])[C:24]([F:25])([F:26])[c:27]2[cH:28][c:29]([Br:30])[cH:31][cH:32][cH:33]2)[cH:34][cH:35]1 MFCCLCRHBWKWSH-NEQMZLFVSA-N>>DIEVBZBKNZOTLV-BLTYFHJJSA-N 0.0 Unrecognized False substrate controlled False [C:1]/[C:2]=[C:3]/[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[C:1]/[C:2]=[C:3]/[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] aa0c5d364c7b0880336e4d2a527b429971b8f795c3ee991061e4feff1f6058c0 Cl[Mg][CH2:6][CH2:5][CH2:4][CH2:3][O:2][CH3:1].[C:7](=[O:8])([c:9]1[c:10]([N:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[c:17]([F:18])[cH:19][cH:20][cH:21]1)[C@@H:22]1[CH2:23][CH2:24][CH2:25][N:26]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:34]1>C1CCOC1.N#N>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][CH2:6][C@@:7]([OH:8])([c:9]1[c:10]([N:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[c:17]([F:18])[cH:19][cH:20][cH:21]1)[C@@H:22]1[CH2:23][CH2:24][CH2:25][N:26]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:34]1 GIFYACDBWXTEAE-MRXNPFEDSA-N.QCIPGWRSPIFAAB-UHFFFAOYSA-M>>MSIRKHZTPWIDAM-ZBLYBZFDSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@;H0;D4;+0:4](-[OH;D1;+0:5])(-[c:6])-[CH2;D2;+0:1]-[C:2]>>Cl-[Mg]-[CH2;D2;+0:1]-[C:2].[C:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[c:6] 9350ac5007752dafe80f3b1c1f4b7a7c1e44a921a081de76c8202d6f0d24cdab CS(=O)(=O)O[C@@H:4]1[CH2:5][C@@H:6]([CH2:7][O:8][Si:9]([CH3:10])([CH3:11])[C:12]([CH3:13])([CH3:14])[CH3:15])[N:16]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:24]1.[CH3:1][CH2:2][NH2:3]>CC(C)O>[CH3:1][CH2:2][NH:3][C@H:4]1[CH2:5][C@@H:6]([CH2:7][O:8][Si:9]([CH3:10])([CH3:11])[C:12]([CH3:13])([CH3:14])[CH3:15])[N:16]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:24]1 KYVZPNPLJOKVFO-UONOGXRCSA-N.QUSNBJAOOMFDIB-UHFFFAOYSA-N>>UUUZYUGHSGBWMK-GJZGRUSLSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[NH;D2;+0:6]-[C:5]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C:5]-[NH2;D1;+0:6] 9b64b7befc3c94be25b88084aa7b9335a4f0d897b536d63701f409c7ca47ea05 [CH2:1]=[CH:2][CH2:3][O:4][CH2:5][CH2:6][C@@H:7]([CH3:8])[CH2:9][C@H:10]([NH:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[C:19](=[O:20])[CH2:21][Cl:22]>CCO.Cl.B.[Na+]>[CH2:1]=[CH:2][CH2:3][O:4][CH2:5][CH2:6][C@@H:7]([CH3:8])[CH2:9][C@H:10]([NH:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[C@H:19]([OH:20])[CH2:21][Cl:22] HZAYIJYMHMYQHV-OLZOCXBDSA-N>>FBIUCGLXHSUTKP-HZSPNIEDSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6](=[O:7])(=[O:8])[O:9][CH2:10][C:11](=[O:12])[c:13]2[cH:14][cH:15][c:16]([F:17])[cH:18][cH:19]2)[cH:20][cH:21]1>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.Cc1ccccc1.O>[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6](=[O:7])(=[O:8])[O:9][CH2:10][C@@H:11]([OH:12])[c:13]2[cH:14][cH:15][c:16]([F:17])[cH:18][cH:19]2)[cH:20][cH:21]1 NKPCPEMBZAFOGZ-UHFFFAOYSA-N>>JDSMJWPBAWPEGQ-OAHLLOKOSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 O=C(O)[C@H:24]1[C@H:11]([c:12]2[cH:13][cH:14][c:15](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[cH:22][cH:23]2)[CH2:10][CH2:9][N:8]([C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:26]1.[N-]=[N+]=[N:25]P(=O)(c1ccccc1)c1ccccc1>C1CCOC1.CCN(CC)CC.Cc1ccccc1.[Na+].O>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][C@@H:11]([c:12]2[cH:13][cH:14][c:15](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[cH:22][cH:23]2)[C@H:24]([NH2:25])[CH2:26]1 MKRTXPORKIRPDG-UHFFFAOYSA-N.SQXYWBRSKPBHEI-VQTJNVASSA-N>>VFEGRKCGYNQVSJ-VQTJNVASSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[NH2;D1;+0:5]>>O-C(=O)-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].O=P(-[N;H0;D2;+0:5]=[N+]=[N-])(-c1:c:c:c:c:c:1)-c1:c:c:c:c:c:1 11a2f26fc0cafb5e8dcde0c3fb722477ac755240c9ffc84bb2db51212ab6ebc0 CS(=O)(=O)O[C@@H:7]1[CH2:8][N:9]2[CH2:10][CH2:11][CH:12]1[CH2:13][CH2:14]2.[cH:1]1[cH:2][cH:3][c:4]([CH2:5][SH:6])[cH:15][cH:16]1>CN(C)C=O.O=C(O)O.[HH].[Na+].[Na+]>[cH:1]1[cH:2][cH:3][c:4]([CH2:5][S:6][C@H:7]2[CH2:8][N:9]3[CH2:10][CH2:11][CH:12]2[CH2:13][CH2:14]3)[cH:15][cH:16]1 QVEMSVFKCNTWFF-MRVPVSSYSA-N.UENWRTRMUIOCKN-UHFFFAOYSA-N>>HHVVEPPRVUYSGI-AWEZNQCLSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:6]-[C:5]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C:5]-[SH;D1;+0:6] 95a771325804142d8f4be9e83acf3fa6f9e2ce5161a29f2a909a78df29aa2cd7 CS(=O)(=O)O[C@@H:7]1[CH2:8][N:9]2[CH2:10][CH2:11][CH:12]1[CH2:13][CH2:14]2.[F:1][c:2]1[cH:3][cH:4][c:5]([SH:6])[cH:15][cH:16]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([S:6][C@H:7]2[CH2:8][N:9]3[CH2:10][CH2:11][CH:12]2[CH2:13][CH2:14]3)[cH:15][cH:16]1 OKIHXNKYYGUVTE-UHFFFAOYSA-N.QVEMSVFKCNTWFF-MRVPVSSYSA-N>>WKXHEZLKBXROLU-ZDUSSCGKSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:5]-[c:6]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[SH;D1;+0:5]-[c:6] e4f05920d26578feecdcd4d882277bd7114d2371d08e876ccc364d9562fd8f49 CS(=O)(=O)O[C@@H:8]1[CH2:9][N:10]2[CH2:11][CH2:12][CH:13]1[CH2:14][CH2:15]2.[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]([SH:7])[cH:16]1>>[F:1][c:2]1[cH:3][cH:4][cH:5][c:6]([S:7][C@H:8]2[CH2:9][N:10]3[CH2:11][CH2:12][CH:13]2[CH2:14][CH2:15]3)[cH:16]1 QVEMSVFKCNTWFF-MRVPVSSYSA-N.ZDEUGINAVLMAET-UHFFFAOYSA-N>>CTOBYZFCYNHUMY-ZDUSSCGKSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:5]-[c:6]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[SH;D1;+0:5]-[c:6] e4f05920d26578feecdcd4d882277bd7114d2371d08e876ccc364d9562fd8f49 CS(=O)(=O)O[C@@H:8]1[CH2:9][N:10]2[CH2:11][CH2:12][CH:13]1[CH2:14][CH2:15]2.[F:1][c:2]1[c:3]([F:4])[cH:5][c:6]([SH:7])[cH:16][cH:17]1>>[F:1][c:2]1[c:3]([F:4])[cH:5][c:6]([S:7][C@H:8]2[CH2:9][N:10]3[CH2:11][CH2:12][CH:13]2[CH2:14][CH2:15]3)[cH:16][cH:17]1 BGVRHDQMTMPAEZ-UHFFFAOYSA-N.QVEMSVFKCNTWFF-MRVPVSSYSA-N>>AAPLVZLTUBJDCV-ZDUSSCGKSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:5]-[c:6]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[SH;D1;+0:5]-[c:6] e4f05920d26578feecdcd4d882277bd7114d2371d08e876ccc364d9562fd8f49 CS(=O)(=O)O[C@@H:6]1[CH2:7][N:8]2[CH2:9][CH2:10][CH:11]1[CH2:12][CH2:13]2.[cH:1]1[cH:2][cH:3][c:4]([SH:5])[cH:14][cH:15]1>>[cH:1]1[cH:2][cH:3][c:4]([S:5][C@H:6]2[CH2:7][N:8]3[CH2:9][CH2:10][CH:11]2[CH2:12][CH2:13]3)[cH:14][cH:15]1 QVEMSVFKCNTWFF-MRVPVSSYSA-N.RMVRSNDYEFQCLF-UHFFFAOYSA-N>>YAAVXODWZKQTRD-ZDUSSCGKSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:5]-[c:6]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[SH;D1;+0:5]-[c:6] e4f05920d26578feecdcd4d882277bd7114d2371d08e876ccc364d9562fd8f49 CS(=O)(=O)O[C@@H:6]1[CH2:7][N:8]2[CH2:9][CH2:10][CH:11]1[CH2:12][CH2:13]2.[CH2:1]1[CH2:2][CH2:3][CH:4]([SH:5])[CH2:14][CH2:15]1>>[CH2:1]1[CH2:2][CH2:3][CH:4]([S:5][C@H:6]2[CH2:7][N:8]3[CH2:9][CH2:10][CH:11]2[CH2:12][CH2:13]3)[CH2:14][CH2:15]1 CMKBCTPCXZNQKX-UHFFFAOYSA-N.QVEMSVFKCNTWFF-MRVPVSSYSA-N>>DOXQDFIJEHGVJE-ZDUSSCGKSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:6]-[C:5]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C:5]-[SH;D1;+0:6] 95a771325804142d8f4be9e83acf3fa6f9e2ce5161a29f2a909a78df29aa2cd7 CS(=O)(=O)O[C@@H:6]1[CH2:7][N:8]2[CH2:9][CH2:10][CH:11]1[CH2:12][CH2:13]2.[CH3:1][CH:2]([CH3:3])[CH2:4][SH:5]>>[CH3:1][CH:2]([CH3:3])[CH2:4][S:5][C@H:6]1[CH2:7][N:8]2[CH2:9][CH2:10][CH:11]1[CH2:12][CH2:13]2 BDFAOUQQXJIZDG-UHFFFAOYSA-N.QVEMSVFKCNTWFF-MRVPVSSYSA-N>>SKIRDAJNVJNPJG-NSHDSACASA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@@H;D3;+0:1](-[C:2])-[S;H0;D2;+0:6]-[C:5]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C:5]-[SH;D1;+0:6] 95a771325804142d8f4be9e83acf3fa6f9e2ce5161a29f2a909a78df29aa2cd7 [CH3:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][c:8]([O:9][CH:10]2[CH2:11][CH2:12][N:13]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:21][CH2:22]2)[c:23]1[Cl:24]>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CO.Cc1ccccc1>[CH3:1][C@H:2]([OH:3])[c:4]1[cH:5][cH:6][cH:7][c:8]([O:9][CH:10]2[CH2:11][CH2:12][N:13]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:21][CH2:22]2)[c:23]1[Cl:24] LKNGKSJANGWKDZ-UHFFFAOYSA-N>>AIDKTSXTRWOJKR-LBPRGKRZSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c O[C@@H:18]([CH3:19])[c:20]1[c:21]([Cl:22])[cH:23][cH:24][cH:25][cH:26]1.[CH2:1]=[CH:2][CH2:3][O:4][C:5](=[O:6])[c:7]1[cH:8][c:9]2[c:10]([cH:11][cH:12]1)[n:13](-[c:14]1[cH:15][c:16]([OH:17])[c:27]([C:28](=[O:29])[O:30][CH3:31])[s:32]1)[cH:33][n:34]2>CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)C.ClCCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH2:1]=[CH:2][CH2:3][O:4][C:5](=[O:6])[c:7]1[cH:8][c:9]2[c:10]([cH:11][cH:12]1)[n:13](-[c:14]1[cH:15][c:16]([O:17][C@H:18]([CH3:19])[c:20]3[c:21]([Cl:22])[cH:23][cH:24][cH:25][cH:26]3)[c:27]([C:28](=[O:29])[O:30][CH3:31])[s:32]1)[cH:33][n:34]2 DDUBOVLGCYUYFX-LURJTMIESA-N.TWFXKLGLZPKMEU-UHFFFAOYSA-N>>FAWHBBMNFUWUTB-OAHLLOKOSA-N 0.0 Unrecognized False stereospecific False [#16;a:4]:[c:5]:[c:6]-[O;H0;D2;+0:7]-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3].[#16;a:4]:[c:5]:[c:6]-[OH;D1;+0:7] 90e2a5813f01d6cebccc282d34f6619c4b068baf7cca999a0ef1939b2ba1069f Br[c:11]1[cH:10][cH:9][c:8]2[cH:7][c:4]([O:5][CH3:6])[c:3]([CH:2]=[CH2:1])[cH:33][c:32]2[cH:31]1.[C:12]1(=[O:13])[CH2:14][C@@H:15]([C:16](=[O:17])[O:18][CH3:19])[N:20]([C:21](=[O:22])[O:23][CH2:24][CH2:25][Si:26]([CH3:27])([CH3:28])[CH3:29])[CH2:30]1>BrCCBr.C1CCOC1.Cc1ccccc1.[Mg]>[CH2:1]=[CH:2][c:3]1[c:4]([O:5][CH3:6])[cH:7][c:8]2[cH:9][cH:10][c:11]([C@:12]3([OH:13])[CH2:14][C@@H:15]([C:16](=[O:17])[O:18][CH3:19])[N:20]([C:21](=[O:22])[O:23][CH2:24][CH2:25][Si:26]([CH3:27])([CH3:28])[CH3:29])[CH2:30]3)[cH:31][c:32]2[cH:33]1 FRIVJSODJTULQG-JTQLQIEISA-N.MRNNCXPHFGKDLE-UHFFFAOYSA-N>>FHZPJMYGBCQPST-OFVILXPXSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5]-[C@;H0;D4;+0:6](-[C:7])(-[OH;D1;+0:8])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7:4]-[C:5]-[C;H0;D3;+0:6](-[C:7])=[O;H0;D1;+0:8] 5c2e731f270aefaf3475ecc1ff0cfc580c3727dfe851dc434ed3b25bdccb4166 Br[c:5]1[cH:4][c:3]([CH:2]=[CH2:1])[c:29]2[c:24]([cH:23]1)[cH:25][cH:26][cH:27][cH:28]2.[C:6]1(=[O:7])[CH2:8][C@@H:9]([C:10](=[O:11])[O:12][CH3:13])[N:14]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:22]1>BrCCBr.C1CCOC1.Cc1ccccc1.[Mg]>[CH2:1]=[CH:2][c:3]1[cH:4][c:5]([C@:6]2([OH:7])[CH2:8][C@@H:9]([C:10](=[O:11])[O:12][CH3:13])[N:14]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:22]2)[cH:23][c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]12 BKLJBHJZMQNOOA-UHFFFAOYSA-N.UPBHYYJZVWZCOZ-QMMMGPOBSA-N>>CQZORMPZINKGNQ-CVDCTZTESA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5]-[C@;H0;D4;+0:6](-[C:7])(-[OH;D1;+0:8])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7:4]-[C:5]-[C;H0;D3;+0:6](-[C:7])=[O;H0;D1;+0:8] 5c2e731f270aefaf3475ecc1ff0cfc580c3727dfe851dc434ed3b25bdccb4166 Br[c:12]1[cH:11][cH:10][c:9]2[cH:8][c:4]([N:5]([CH3:6])[CH3:7])[c:3]([CH:2]=[CH2:1])[cH:32][c:31]2[cH:30]1.[C:13]1(=[O:14])[CH2:15][C@@H:16]([C:17](=[O:18])[O:19][CH3:20])[N:21]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:29]1>C1CCOC1.Cc1ccccc1.[Mg]>[CH2:1]=[CH:2][c:3]1[c:4]([N:5]([CH3:6])[CH3:7])[cH:8][c:9]2[cH:10][cH:11][c:12]([C@:13]3([OH:14])[CH2:15][C@@H:16]([C:17](=[O:18])[O:19][CH3:20])[N:21]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:29]3)[cH:30][c:31]2[cH:32]1 JMAARBQYMUITHJ-UHFFFAOYSA-N.UPBHYYJZVWZCOZ-QMMMGPOBSA-N>>MPYOSKINNWHXGP-OFVILXPXSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5]-[C@;H0;D4;+0:6](-[C:7])(-[OH;D1;+0:8])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7:4]-[C:5]-[C;H0;D3;+0:6](-[C:7])=[O;H0;D1;+0:8] 5c2e731f270aefaf3475ecc1ff0cfc580c3727dfe851dc434ed3b25bdccb4166 Br[c:9]1[cH:8][cH:7][c:6]2[cH:5][cH:4][c:3]([CH:2]=[CH2:1])[cH:31][c:30]2[cH:29]1.[C:10]1(=[O:11])[CH2:12][C@@H:13]([C:14](=[O:15])[O:16][CH3:17])[N:18]([C:19](=[O:20])[O:21][CH2:22][CH2:23][Si:24]([CH3:25])([CH3:26])[CH3:27])[CH2:28]1>C1CCOC1.ClCCl.[Mg]>[CH2:1]=[CH:2][c:3]1[cH:4][cH:5][c:6]2[cH:7][cH:8][c:9]([C@:10]3([OH:11])[CH2:12][C@@H:13]([C:14](=[O:15])[O:16][CH3:17])[N:18]([C:19](=[O:20])[O:21][CH2:22][CH2:23][Si:24]([CH3:25])([CH3:26])[CH3:27])[CH2:28]3)[cH:29][c:30]2[cH:31]1 BYCATLDSVRNLFJ-UHFFFAOYSA-N.FRIVJSODJTULQG-JTQLQIEISA-N>>IMDHGUGQWOPQLJ-URXFXBBRSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5]-[C@;H0;D4;+0:6](-[C:7])(-[OH;D1;+0:8])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7:4]-[C:5]-[C;H0;D3;+0:6](-[C:7])=[O;H0;D1;+0:8] 5c2e731f270aefaf3475ecc1ff0cfc580c3727dfe851dc434ed3b25bdccb4166 Br[c:7]1[cH:6][c:5]2[c:4]([CH2:3][CH:2]=[CH2:1])[c:32]([O:33][CH3:34])[cH:31][cH:30][c:29]2[cH:28][cH:27]1.[C:8]1(=[O:9])[CH2:10][C@@H:11]([C:12](=[O:13])[O:14][CH3:15])[N:16]([C:17](=[O:18])[O:19][CH2:20][CH2:21][Si:22]([CH3:23])([CH3:24])[CH3:25])[CH2:26]1>C1CCOC1.ClCCl.[Mg]>[CH2:1]=[CH:2][CH2:3][c:4]1[c:5]2[cH:6][c:7]([C@:8]3([OH:9])[CH2:10][C@@H:11]([C:12](=[O:13])[O:14][CH3:15])[N:16]([C:17](=[O:18])[O:19][CH2:20][CH2:21][Si:22]([CH3:23])([CH3:24])[CH3:25])[CH2:26]3)[cH:27][cH:28][c:29]2[cH:30][cH:31][c:32]1[O:33][CH3:34] FRIVJSODJTULQG-JTQLQIEISA-N.ZNOXAAUVYURDTP-UHFFFAOYSA-N>>JTCLTMCVKHNMDA-NVQXNPDNSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5]-[C@;H0;D4;+0:6](-[C:7])(-[OH;D1;+0:8])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7:4]-[C:5]-[C;H0;D3;+0:6](-[C:7])=[O;H0;D1;+0:8] 5c2e731f270aefaf3475ecc1ff0cfc580c3727dfe851dc434ed3b25bdccb4166 [CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[C@H:9]([CH3:10])[NH:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[cH:19][n:20]1>CC(C)O.CC(C)O.CC(C)O.CC(C)O.Cc1ccccc1.Cl.O.[Al+3]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C@@H:7]([OH:8])[C@H:9]([CH3:10])[NH:11][C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[cH:19][n:20]1 LHVRIXITJHASQS-VIFPVBQESA-N>>OPRCYFQPBSGYFO-CABZTGNLSA-N 0.0 Unrecognized False substrate controlled False [#7;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#7;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 8195ad48987c12d459870b75bedef46a37480b4c6c44771b180631aa2774a53a C[O:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:7]([O:12][CH2:13][C@@H:14]3[CH2:15][O:16]3)[c:8]([Br:9])[cH:10][n:11]2)[n:17]1>C1CCOC1.ClCCl.O=C(O)O.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Na+].[Yb+3]>[O:1]=[c:2]1[cH:3][cH:4][c:5]2[c:6]3[c:7]([c:8]([Br:9])[cH:10][n:11]2)[O:12][CH2:13][C@@H:14]([CH2:15][OH:16])[n:17]13 LZBZHRBLRVEHRB-ZETCQYMHSA-N>>WLJIUYRSWFBACN-ZCFIWIBFSA-N 0.0 Unrecognized False stereospecific False [#7;a:7]:[c:6]:[c:5]:[n;H0;D3;+0:4](-[C@@H;D3;+0:9](-[C:8])-[C:10]-[OH;D1;+0:11]):[c;H0;D3;+0:2](=[O;H0;D1;+0:1]):[c:3]>>C-[O;H0;D2;+0:1]-[c;H0;D3;+0:2](:[c:3]):[n;H0;D2;+0:4]:[c:5]:[c:6]:[#7;a:7].[C:8]-[C@@H;D3;+0:9]1-[C:10]-[O;H0;D2;+0:11]-1 74f49523009e65a772b2d446dc98a381cf10ef312104301aa5eff1c94a3ddf03 C[O:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:7]([O:12][CH2:13][C@@H:14]3[CH2:15][O:16]3)[c:8]([F:9])[cH:10][n:11]2)[n:17]1>O=C(O)O.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Na+].[Yb+3]>[O:1]=[c:2]1[cH:3][cH:4][c:5]2[c:6]3[c:7]([c:8]([F:9])[cH:10][n:11]2)[O:12][CH2:13][C@@H:14]([CH2:15][OH:16])[n:17]13 GTSSJCPORPFTEY-ZETCQYMHSA-N>>SDLJRYWTRCKVRJ-ZCFIWIBFSA-N 0.0 Unrecognized False stereospecific False [#7;a:7]:[c:6]:[c:5]:[n;H0;D3;+0:4](-[C@@H;D3;+0:9](-[C:8])-[C:10]-[OH;D1;+0:11]):[c;H0;D3;+0:2](=[O;H0;D1;+0:1]):[c:3]>>C-[O;H0;D2;+0:1]-[c;H0;D3;+0:2](:[c:3]):[n;H0;D2;+0:4]:[c:5]:[c:6]:[#7;a:7].[C:8]-[C@@H;D3;+0:9]1-[C:10]-[O;H0;D2;+0:11]-1 74f49523009e65a772b2d446dc98a381cf10ef312104301aa5eff1c94a3ddf03 C[O:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:7]([S:12][CH2:13][C@@H:14]3[CH2:15][O:16]3)[c:8]([F:9])[cH:10][n:11]2)[n:17]1>C1CCOC1.ClCCl.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Yb+3]>[O:1]=[c:2]1[cH:3][cH:4][c:5]2[c:6]3[c:7]([c:8]([F:9])[cH:10][n:11]2)[S:12][CH2:13][C@@H:14]([CH2:15][OH:16])[n:17]13 IHYUSKHJMIUINZ-ZETCQYMHSA-N>>FGYGZBQTSGDCAC-ZCFIWIBFSA-N 0.0 Unrecognized False stereospecific False [#7;a:7]:[c:6]:[c:5]:[n;H0;D3;+0:4](-[C@@H;D3;+0:9](-[C:8])-[C:10]-[OH;D1;+0:11]):[c;H0;D3;+0:2](=[O;H0;D1;+0:1]):[c:3]>>C-[O;H0;D2;+0:1]-[c;H0;D3;+0:2](:[c:3]):[n;H0;D2;+0:4]:[c:5]:[c:6]:[#7;a:7].[C:8]-[C@@H;D3;+0:9]1-[C:10]-[O;H0;D2;+0:11]-1 74f49523009e65a772b2d446dc98a381cf10ef312104301aa5eff1c94a3ddf03 [CH2:1]=[CH:2][CH2:3][CH2:4][CH2:5][C@@H:6]1[CH2:7][CH2:8][CH2:9][C:10]1=[O:12].[Li][CH3:11]>CCOCC.C[Al](C)C.Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.Cc1ccccc1.Cl>[CH2:1]=[CH:2][CH2:3][CH2:4][CH2:5][C@@H:6]1[CH2:7][CH2:8][CH2:9][C@@:10]1([CH3:11])[OH:12] DVSDBMFJEQPWNO-UHFFFAOYSA-N.ZJRQCNKYIOYBQN-SECBINFHSA-N>>DBXJQNJHJBZMQK-GHMZBOCLSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@;H0;D4;+0:3](-[C:4])(-[CH3;D1;+0:1])-[OH;D1;+0:5]>>[CH3;D1;+0:1]-[Li].[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] dd61216dcddc30a8c086dee747ce8d1398f68d6876f54721d9bc794bb1d5084d O=P(c1ccccc1)(c1ccccc1)[N:3]=[N+:2]=[N-:1].O[C@H:4]1[CH2:5][CH2:6][CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]21>C1=C(C2=NNCCCCCCCC2)CCCCCCCCC1.Cc1ccccc1.O>[N-:1]=[N+:2]=[N:3][C@@H:4]1[CH2:5][CH2:6][CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]21 JAAJQSRLGAYGKZ-JTQLQIEISA-N.MKRTXPORKIRPDG-UHFFFAOYSA-N>>JRCCMJGRDJTQNS-SNVBAGLBSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].O=P(-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6])(-c1:c:c:c:c:c:1)-c1:c:c:c:c:c:1 ab6024695fd701762ae9e20213f5206f982841807bb21b41ca56b06d668bb63c [O:1]=[C:2]1[CH2:3][c:4]2[cH:5][cH:6][c:7]([F:8])[c:9]3[cH:10][cH:11][cH:12][c:13]1[c:14]23>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CO.Cl.ClCCl>[OH:1][C@H:2]1[CH2:3][c:4]2[cH:5][cH:6][c:7]([F:8])[c:9]3[cH:10][cH:11][cH:12][c:13]1[c:14]23 SDBKSQFTHDLBQS-UHFFFAOYSA-N>>LWFHNPVKAGGVSY-NSHDSACASA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH2:11][C@H:12]([C:13](=[O:14])[c:15]2[n:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:21]1>C1CCOC1.CC(C)O.CCOC(C)=O.O=C(O)O.[K+].[K+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH2:11][C@H:12]([C@H:13]([OH:14])[c:15]2[n:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:21]1 MKNLPADNIQQTFI-LBPRGKRZSA-N>>LUSIBVHYEMFLBT-JSGCOSHPSA-N 0.0 Unrecognized False substrate controlled False [#7;a:1]:[c:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#7;a:1]:[c:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 439910f0ec84fc11a36d00d5e6a4edbc841ea487b63c909aa068c82b3ec914b0 [CH3:1][O:2][C:3](=[O:4])[C@@H:5]1[CH2:6][CH2:7][C:8]([c:9]2[cH:10][cH:11][c:12]([O:13][CH2:14][c:15]3[c:16]([F:17])[cH:18][cH:19][cH:20][cH:21]3)[cH:22][cH:23]2)=[N:24]1>CCOC(C)=O.[H][H].[Pt]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]1[CH2:6][CH2:7][C@H:8]([c:9]2[cH:10][cH:11][c:12]([O:13][CH2:14][c:15]3[c:16]([F:17])[cH:18][cH:19][cH:20][cH:21]3)[cH:22][cH:23]2)[NH:24]1 PQVYABHMDWYXOM-SFHVURJKSA-N>>KGOQBAFPBKDQNS-MSOLQXFVSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[NH;D2;+0:3]-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8])-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1>>[C:1]-[C;H0;D3;+0:2](=[N;H0;D2;+0:3]-[C:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8])-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1 4523a0b82d66538985b99f29b43be4fd504c5d63530b8c14300c1ae2d78eeefb CS(=O)(=O)O[C@H:4]1[CH2:5][CH2:6][CH2:7][N:8]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:16]1.[CH3:1][NH:2][CH3:3]>CO>[CH3:1][N:2]([CH3:3])[C@@H:4]1[CH2:5][CH2:6][CH2:7][N:8]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:16]1 ROSDSFDQCJNGOL-UHFFFAOYSA-N.WLAZHMYDLUILKR-VIFPVBQESA-N>>HFIAGQNFPTWBQZ-SNVBAGLBSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@@H;D3;+0:1](-[C:2])-[N;H0;D3;+0:6](-[C;D1;H3:5])-[C;D1;H3:7]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[C;D1;H3:5]-[NH;D2;+0:6]-[C;D1;H3:7] 157697b1e38caead426da2bdfa8b8106c309cc654710148bee67cc4f1f517c9a [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([N+:15](=[O:16])[O-:17])[cH:18][cH:19]1)[C:20](=[O:21])[CH2:22][Cl:23]>CCO.B.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]([CH2:10][c:11]1[cH:12][cH:13][c:14]([N+:15](=[O:16])[O-:17])[cH:18][cH:19]1)[C@H:20]([OH:21])[CH2:22][Cl:23] ADQDVXAJWXIAGA-LBPRGKRZSA-N>>VIIXOAICXCGUIA-QWHCGFSZSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [O:1]=[C:2]1[CH2:3][c:4]2[cH:5][cH:6][c:7]([F:8])[c:9]3[cH:10][cH:11][cH:12][c:13]1[c:14]23>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CO.Cl.ClCCl>[OH:1][C@H:2]1[CH2:3][c:4]2[cH:5][cH:6][c:7]([F:8])[c:9]3[cH:10][cH:11][cH:12][c:13]1[c:14]23 SDBKSQFTHDLBQS-UHFFFAOYSA-N>>LWFHNPVKAGGVSY-NSHDSACASA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 Br[CH2:13][c:12]1[cH:11][cH:10][c:6]([N+:7](=[O:8])[O-:9])[c:5]([O:4][CH2:3][CH2:2][CH3:1])[cH:27]1.[CH2:14]1[N:15]=[C:16]([O:17][CH3:18])[C@@H:19]([CH:20]([CH3:21])[CH3:22])[N:23]=[C:24]1[O:25][CH3:26]>C1CCOC1.N#C[Cu].Cl.[Li+].[Li]CCCC>[CH3:1][CH2:2][CH2:3][O:4][c:5]1[c:6]([N+:7](=[O:8])[O-:9])[cH:10][cH:11][c:12]([CH2:13][C@@H:14]2[N:15]=[C:16]([O:17][CH3:18])[C@@H:19]([CH:20]([CH3:21])[CH3:22])[N:23]=[C:24]2[O:25][CH3:26])[cH:27]1 FCFWEOGTZZPCTO-MRVPVSSYSA-N.OBYTXBKCJFGVRC-UHFFFAOYSA-N>>JBTPBTSVEQDGBF-WMLDXEAASA-N 0.0 Unrecognized False substrate controlled False [#7:3]=[C:4]-[C@@H;D3;+0:5](-[#7:6]=[C:7])-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]=[C:4]-[CH2;D2;+0:5]-[#7:6]=[C:7] 8ae87320ea55b898c068a2bfc341489ff469f2b58b37d2addc3e7e398f6c02b1 Br[CH2:3][CH:2]=[CH2:1].[CH2:4]([C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[CH:20]([CH3:21])[CH3:22]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH2:1]=[CH:2][CH2:3][C@H:4]([C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[CH:20]([CH3:21])[CH3:22] BHELZAPQIKSEDF-UHFFFAOYSA-N.JHGXEUXQJIKZMY-ZDUSSCGKSA-N>>CWCAUEGSBBTDMT-HOTGVXAUSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3]>>Br-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3].[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 42181a6356d577596039c200ae5f750211582bc9cf6ade255d2ea9d2dd6ad309 Br[CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH:2]=[CH2:1].[CH2:8]1[N:9]=[C:10]([O:11][CH2:12][CH3:13])[C@@H:14]([CH:15]([CH3:16])[CH3:17])[N:18]=[C:19]1[O:20][CH2:21][CH3:22]>C1CCOC1.O.[Li]CCCC>[CH2:1]=[CH:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][C@@H:8]1[N:9]=[C:10]([O:11][CH2:12][CH3:13])[C@@H:14]([CH:15]([CH3:16])[CH3:17])[N:18]=[C:19]1[O:20][CH2:21][CH3:22] GNYDYUQVALBGGZ-UHFFFAOYSA-N.HRAZLOIRFUQOPL-SNVBAGLBSA-N>>UPMKKVJDWSALEP-JKSUJKDBSA-N 0.0 Unrecognized False substrate controlled False [#7:3]=[C:4]-[C@@H;D3;+0:5](-[#7:6]=[C:7])-[CH2;D2;+0:1]-[C:2]>>Br-[CH2;D2;+0:1]-[C:2].[#7:3]=[C:4]-[CH2;D2;+0:5]-[#7:6]=[C:7] bff9ff3f74e36c076bc6a9093555169c3002e14214cbc0d95cf451ea5f90f486 O=[CH:14][c:12]1[c:11]([N:31]2[CH2:24][C@@H:25]([CH3:26])[O:27][C@@H:28]([CH3:29])[CH2:30]2)[c:9]([F:10])[c:7]([F:8])[c:6]([CH2:5][O:4][C:2]([CH3:1])=[O:3])[cH:13]1.[CH2:15]1[C:16](=[O:17])[NH:18][C:19](=[O:20])[NH:21][C:22]1=[O:23]>CC(C)O>[CH3:1][C:2](=[O:3])[O:4][CH2:5][c:6]1[c:7]([F:8])[c:9]([F:10])[c:11]2[c:12]([cH:13]1)[CH2:14][C:15]1([C:16](=[O:17])[NH:18][C:19](=[O:20])[NH:21][C:22]1=[O:23])[C@H:24]1[C@H:25]([CH3:26])[O:27][C@H:28]([CH3:29])[CH2:30][N:31]21 HNYOPLTXPVRDBG-UHFFFAOYSA-N.PNBAHWJKNOPRET-AOOOYVTPSA-N>>LNFWOXLXSSVUEB-YNEJBJPTSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D4;+0:6]1-[C@@H;D3;+0:5]-[N;H0;D3;+0:4]-[c;H0;D3;+0:3]:[c;H0;D3;+0:2]-[CH2;D2;+0:1]-1>>O=[CH;D2;+0:1]-[c;H0;D3;+0:2]:[c;H0;D3;+0:3]-[N;H0;D3;+0:4]-[CH2;D2;+0:5].[CH2;D2;+0:6] 33a55cecae4c9888e9e04f7137c4d1dcf6443273819f6dca14ede68d1a3b30da O=[CH:19][c:18]1[c:8]([N:7]2[CH2:6][C@@H:4]([CH3:5])[O:3][C@@H:2]([CH3:1])[CH2:29]2)[c:9]([F:10])[c:11]([F:12])[c:13]([C:14](=[O:15])[OH:16])[cH:17]1.[CH2:20]1[C:21](=[O:22])[NH:23][C:24](=[O:25])[NH:26][C:27]1=[O:28]>CC(C)O>[CH3:1][C@@H:2]1[O:3][C@H:4]([CH3:5])[CH2:6][N:7]2[c:8]3[c:9]([F:10])[c:11]([F:12])[c:13]([C:14](=[O:15])[OH:16])[cH:17][c:18]3[CH2:19][C:20]3([C:21](=[O:22])[NH:23][C:24](=[O:25])[NH:26][C:27]3=[O:28])[C@@H:29]12 HNYOPLTXPVRDBG-UHFFFAOYSA-N.NJOCWLVRGPWTAS-OCAPTIKFSA-N>>YCMNOMATVUMLFX-DDZXGWPLSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D4;+0:6]1-[C@@H;D3;+0:5]-[N;H0;D3;+0:4]-[c;H0;D3;+0:3]:[c;H0;D3;+0:2]-[CH2;D2;+0:1]-1>>O=[CH;D2;+0:1]-[c;H0;D3;+0:2]:[c;H0;D3;+0:3]-[N;H0;D3;+0:4]-[CH2;D2;+0:5].[CH2;D2;+0:6] 33a55cecae4c9888e9e04f7137c4d1dcf6443273819f6dca14ede68d1a3b30da O=[CH:17][c:16]1[c:8]([N:7]2[CH2:6][C@@H:4]([CH3:5])[O:3][C@@H:2]([CH3:1])[CH2:27]2)[cH:9][cH:10][c:11]([N+:12](=[O:13])[O-:14])[cH:15]1.[CH2:18]1[C:19](=[O:20])[NH:21][C:22](=[O:23])[NH:24][C:25]1=[O:26]>CC(C)O.O>[CH3:1][C@@H:2]1[O:3][C@H:4]([CH3:5])[CH2:6][N:7]2[c:8]3[cH:9][cH:10][c:11]([N+:12](=[O:13])[O-:14])[cH:15][c:16]3[CH2:17][C:18]3([C:19](=[O:20])[NH:21][C:22](=[O:23])[NH:24][C:25]3=[O:26])[C@@H:27]12 HNYOPLTXPVRDBG-UHFFFAOYSA-N.OCLBIWBLVTYKSX-AOOOYVTPSA-N>>DJZPHYIXNUOVJU-VYUIOLGVSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D4;+0:6]1-[C@@H;D3;+0:5]-[N;H0;D3;+0:4]-[c;H0;D3;+0:3]:[c;H0;D3;+0:2]-[CH2;D2;+0:1]-1>>O=[CH;D2;+0:1]-[c;H0;D3;+0:2]:[c;H0;D3;+0:3]-[N;H0;D3;+0:4]-[CH2;D2;+0:5].[CH2;D2;+0:6] 33a55cecae4c9888e9e04f7137c4d1dcf6443273819f6dca14ede68d1a3b30da O=[CH:15][c:14]1[c:8]([N:7]2[CH2:6][C@@H:4]([CH3:5])[O:3][C@@H:2]([CH3:1])[CH2:25]2)[cH:9][cH:10][c:11]([I:12])[cH:13]1.[CH2:16]1[C:17](=[O:18])[NH:19][C:20](=[O:21])[NH:22][C:23]1=[O:24]>CC(C)O>[CH3:1][C@@H:2]1[O:3][C@H:4]([CH3:5])[CH2:6][N:7]2[c:8]3[cH:9][cH:10][c:11]([I:12])[cH:13][c:14]3[CH2:15][C:16]3([C:17](=[O:18])[NH:19][C:20](=[O:21])[NH:22][C:23]3=[O:24])[C@@H:25]12 CUECPCBXVWDDNL-AOOOYVTPSA-N.HNYOPLTXPVRDBG-UHFFFAOYSA-N>>LPVPLFYZNKGYRY-VYUIOLGVSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D4;+0:6]1-[C@@H;D3;+0:5]-[N;H0;D3;+0:4]-[c;H0;D3;+0:3]:[c;H0;D3;+0:2]-[CH2;D2;+0:1]-1>>O=[CH;D2;+0:1]-[c;H0;D3;+0:2]:[c;H0;D3;+0:3]-[N;H0;D3;+0:4]-[CH2;D2;+0:5].[CH2;D2;+0:6] 33a55cecae4c9888e9e04f7137c4d1dcf6443273819f6dca14ede68d1a3b30da O=[CH:17][c:16]1[c:8]([N:7]2[CH2:6][C@H:4]([CH3:5])[O:3][C@H:2]([CH3:1])[CH2:27]2)[c:9]([F:10])[c:11]([F:12])[c:13]([I:14])[cH:15]1.[CH2:18]1[C:19](=[O:20])[NH:21][C:22](=[O:23])[NH:24][C:25]1=[O:26]>CC(C)O>[CH3:1][C@@H:2]1[O:3][C@H:4]([CH3:5])[CH2:6][N:7]2[c:8]3[c:9]([F:10])[c:11]([F:12])[c:13]([I:14])[cH:15][c:16]3[CH2:17][C:18]3([C:19](=[O:20])[NH:21][C:22](=[O:23])[NH:24][C:25]3=[O:26])[C@@H:27]12 HNYOPLTXPVRDBG-UHFFFAOYSA-N.OYGDWCPAEXKFKO-OCAPTIKFSA-N>>KRRHTYQMUGEOEE-DDZXGWPLSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D4;+0:6]1-[C@@H;D3;+0:5]-[N;H0;D3;+0:4]-[c;H0;D3;+0:3]:[c;H0;D3;+0:2]-[CH2;D2;+0:1]-1>>O=[CH;D2;+0:1]-[c;H0;D3;+0:2]:[c;H0;D3;+0:3]-[N;H0;D3;+0:4]-[CH2;D2;+0:5].[CH2;D2;+0:6] 33a55cecae4c9888e9e04f7137c4d1dcf6443273819f6dca14ede68d1a3b30da O=[CH:16][c:14]1[c:13]([N:33]2[CH2:26][C@H:27]([CH3:28])[O:29][C@H:30]([CH3:31])[CH2:32]2)[c:11]([F:12])[c:9]([F:10])[c:8]([C:7]#[C:6][c:5]2[n:4][n:3][c:2]([CH3:1])[s:34]2)[cH:15]1.[CH2:17]1[C:18](=[O:19])[NH:20][C:21](=[O:22])[NH:23][C:24]1=[O:25]>CC(C)O>[CH3:1][c:2]1[n:3][n:4][c:5]([C:6]#[C:7][c:8]2[c:9]([F:10])[c:11]([F:12])[c:13]3[c:14]([cH:15]2)[CH2:16][C:17]2([C:18](=[O:19])[NH:20][C:21](=[O:22])[NH:23][C:24]2=[O:25])[C@@H:26]2[C@@H:27]([CH3:28])[O:29][C@@H:30]([CH3:31])[CH2:32][N:33]32)[s:34]1 AUFKVJZHFXKOPJ-PHIMTYICSA-N.HNYOPLTXPVRDBG-UHFFFAOYSA-N>>OJXUEFQYZPUZKS-VOQFUICPSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D4;+0:6]1-[C@H;D3;+0:5]-[N;H0;D3;+0:4]-[c;H0;D3;+0:3]:[c;H0;D3;+0:2]-[CH2;D2;+0:1]-1>>O=[CH;D2;+0:1]-[c;H0;D3;+0:2]:[c;H0;D3;+0:3]-[N;H0;D3;+0:4]-[CH2;D2;+0:5].[CH2;D2;+0:6] 33a55cecae4c9888e9e04f7137c4d1dcf6443273819f6dca14ede68d1a3b30da Br[Mg][CH3:1].[CH:2]1=[CH:3][C:4]2=[CH:5][C:6](=[O:7])[CH2:8][CH2:9][C@:10]2([CH3:11])[C@H:12]2[CH2:13][CH2:14][C@:15]3([CH3:16])[C@@H:17]([C:18]#[N:19])[C@H:20]4[CH2:21][C@H:22]4[C@H:23]3[C@H:24]12>C1CCOC1.Cl.Cl[Cu].O.[Al+3].Cl.Cl.Cl>[CH3:1][C@@H:2]1[CH2:3][C:4]2=[CH:5][C:6](=[O:7])[CH2:8][CH2:9][C@:10]2([CH3:11])[C@H:12]2[CH2:13][CH2:14][C@:15]3([CH3:16])[C@@H:17]([C:18]#[N:19])[C@H:20]4[CH2:21][C@H:22]4[C@H:23]3[C@H:24]12 AVFUHBJCUUTGCD-UHFFFAOYSA-M.IJSGNFJICJSGBL-UVSLTFKNSA-N>>HQRRGVITIJQJKG-ZTYQWERMSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3](-[CH3;D1;+0:1])-[CH2;D2;+0:4]-[C:5]=[C:6]>>Br-[Mg]-[CH3;D1;+0:1].[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5]=[C:6] 5c1646ad975ac4c160a5576fa1689c08e8d0aaed70b41d75532597563f0f94fd O[C@@H:4]([CH2:3][O:2][CH3:1])[CH2:5][N:6]1[CH2:7][CH2:8][N:9]([C:10]([CH3:11])=[O:12])[CH2:13][CH2:14]1.[OH:15][c:16]1[cH:17][cH:18][c:19]([CH:20]2[CH2:21][CH2:22][N:23]([c:24]3[n:25][n:26]4[c:27]([n:28][n:29][c:30]4[C:31]([F:32])([F:33])[F:34])[cH:35][cH:36]3)[CH2:37][CH2:38]2)[cH:39][cH:40]1>C1CCOC1.CC(C)OC(=O)/N=N/C(=O)OC(C)C.CCCCP(CCCC)CCCC.CCOC(C)=O.COC[C@H](O)CN1CCNCC1C(C)=O>[CH3:1][O:2][CH2:3][C@H:4]([CH2:5][N:6]1[CH2:7][CH2:8][N:9]([C:10]([CH3:11])=[O:12])[CH2:13][CH2:14]1)[O:15][c:16]1[cH:17][cH:18][c:19]([CH:20]2[CH2:21][CH2:22][N:23]([c:24]3[n:25][n:26]4[c:27]([n:28][n:29][c:30]4[C:31]([F:32])([F:33])[F:34])[cH:35][cH:36]3)[CH2:37][CH2:38]2)[cH:39][cH:40]1 JHJYWWHEMGORRW-UHFFFAOYSA-N.MUOLYDAVCUYABB-SNVBAGLBSA-N>>SQILVHFEEUOAJL-QHCPKHFHSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[C:3].[OH;D1;+0:4]-[c:5] 215ef75a5d4d29f822381b6a3a84fb2630a5ecc01b2c1b094de19262a4445dad [CH3:1][C:2]([CH3:3])([NH2:4])[CH2:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1>B.C1CCOC1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.[Na+].O>[CH3:1][C:2]([CH3:3])([NH2:4])[CH2:5][C@@H:6]([OH:7])[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1 PCWVJEZSCNZHPA-UHFFFAOYSA-N>>CELVZQVZKDEMBP-SNVBAGLBSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 Br[CH2:14][CH2:15][c:16]1[cH:17][cH:18][c:19]([Cl:20])[cH:21][cH:22]1.[CH3:1][O:2][C:3]1=[N:4][C@H:5]([CH:6]([CH3:7])[CH3:8])[C:9]([O:10][CH3:11])=[N:12][CH2:13]1>C1CCOC1.CCCCCC.CCOCC.Cl.[Li].N>[CH3:1][O:2][C:3]1=[N:4][C@H:5]([CH:6]([CH3:7])[CH3:8])[C:9]([O:10][CH3:11])=[N:12][C@H:13]1[CH2:14][CH2:15][c:16]1[cH:17][cH:18][c:19]([Cl:20])[cH:21][cH:22]1 FCFWEOGTZZPCTO-MRVPVSSYSA-N.YAFMYKFAUNCQPU-UHFFFAOYSA-N>>MWMDVAFUBGEESG-LSDHHAIUSA-N 0.0 Unrecognized False substrate controlled False [#7:3]=[C:4]-[C@@H;D3;+0:5](-[#7:6]=[C:7])-[CH2;D2;+0:1]-[C:2]>>Br-[CH2;D2;+0:1]-[C:2].[#7:3]=[C:4]-[CH2;D2;+0:5]-[#7:6]=[C:7] bff9ff3f74e36c076bc6a9093555169c3002e14214cbc0d95cf451ea5f90f486 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10](=[O:11])[CH2:12][C@H:13]1[CH2:14][O:15][C:16](=[O:17])[C:18]([CH3:19])([CH3:20])[CH3:21]>CO.O.B.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C@@H:10]([OH:11])[CH2:12][C@H:13]1[CH2:14][O:15][C:16](=[O:17])[C:18]([CH3:19])([CH3:20])[CH3:21] HNGJBJKHTNLLJN-JTQLQIEISA-N>>KPHVXRUNJLMXPD-QWRGUYRKSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 24a10c55c777a445640c9a082c0e3e06b05e2ae67a251c9c99a2481cce24d018 I[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][I:12].[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:13][C@H:14]([NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[C:23](=[O:24])[O:25][CH3:26]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][I:12])[CH2:13][C@H:14]([NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[C:23](=[O:24])[O:25][CH3:26] QLIMAARBRDAYGQ-UHFFFAOYSA-N.QNSPKWUAZQIIGZ-QMMMGPOBSA-N>>QBXMJNAYROZXML-KBPBESRZSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@@H;D3;+0:4](-[CH2;D2;+0:1]-[C:2])-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8]>>I-[CH2;D2;+0:1]-[C:2].[C:3]-[CH2;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C;D1;H3:8] f2b50c87de6ed6088f63230e9360d9ece690004b6f081818e3623d92e8a1d420 [CH3:1][C:2]([CH3:3])([NH2:4])[CH2:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1>B.C1CCOC1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.[Na+].O>[CH3:1][C:2]([CH3:3])([NH2:4])[CH2:5][C@@H:6]([OH:7])[c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1 PCWVJEZSCNZHPA-UHFFFAOYSA-N>>CELVZQVZKDEMBP-SNVBAGLBSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c O=S(=O)(O[C@H:7]1[CH2:8][O:9][C@@H:10]2[CH2:11][O:12][CH:13]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[O:20][C@H:21]2[C@H:22]1[F:23])C(F)(F)F.[NH2:1][c:2]1[n:3][c:4](=[O:5])[nH:6][cH:24][cH:25]1>C1CCOC1.CCCCCC.CS(C)=O.[Li]CCCC>[NH2:1][c:2]1[n:3][c:4](=[O:5])[n:6]([C@@H:7]2[CH2:8][O:9][C@@H:10]3[CH2:11][O:12][CH:13]([c:14]4[cH:15][cH:16][cH:17][cH:18][cH:19]4)[O:20][C@H:21]3[C@H:22]2[F:23])[cH:24][cH:25]1 OPTASPLRGRRNAP-UHFFFAOYSA-N.VBTCZEGNJJHLKV-KZKMVBDOSA-N>>HDPJJYWRTFAYCH-YJTWFRKTSA-N 0.0 Unrecognized False stereospecific False [#7;a:12]:[c:13]:[n;H0;D3;+0:14](:[c:15])-[C@H;D3;+0:1]1-[C:2]-[C:3]2-[#8:4]-[C:5](-[c:6])-[#8:7]-[C:8]-[C:9]-2-[#8:10]-[C:11]-1>>F-C(-F)(-F)-S(=O)(=O)-O-[C@@H;D3;+0:1]1-[C:2]-[C:3]2-[#8:4]-[C:5](-[c:6])-[#8:7]-[C:8]-[C:9]-2-[#8:10]-[C:11]-1.[#7;a:12]:[c:13]:[nH;D2;+0:14]:[c:15] 88b157fd7603e7d35f0181ef0fd4d75dadf591a6b1c9cf00938ebc77cba32911 O=S(=O)(O[C@H:15]1[CH2:16][O:17][C@@H:18]2[CH2:19][O:20][CH:21]([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[O:28][C@H:29]2[C@H:30]1[F:31])C(F)(F)F.[CH3:1][Si:2]([CH3:3])([CH3:4])[CH2:5][CH2:6][O:7][CH2:8][n:9]1[c:10](=[O:11])[cH:12][cH:13][nH:14][c:32]1=[O:33]>CN(C)C=O.[HH].[Na+]>[CH3:1][Si:2]([CH3:3])([CH3:4])[CH2:5][CH2:6][O:7][CH2:8][n:9]1[c:10](=[O:11])[cH:12][cH:13][n:14]([C@@H:15]2[CH2:16][O:17][C@@H:18]3[CH2:19][O:20][CH:21]([c:22]4[cH:23][cH:24][cH:25][cH:26][cH:27]4)[O:28][C@H:29]3[C@H:30]2[F:31])[c:32]1=[O:33] CSOCFEUUFAOGJL-UHFFFAOYSA-N.VBTCZEGNJJHLKV-KZKMVBDOSA-N>>LLGBBYXAWYVMPK-GHMSFAMASA-N 0.0 Unrecognized False stereospecific False [#7;a:12]:[c:13]:[n;H0;D3;+0:14](:[c:15])-[C@@H;D3;+0:1]1-[C:2]-[#8:3]-[C:4]2-[C:5]-[#8:6]-[C:7](-[c:8])-[#8:9]-[C:10]-2-[C:11]-1>>F-C(-F)(-F)-S(=O)(=O)-O-[C@H;D3;+0:1]1-[C:2]-[#8:3]-[C:4]2-[C:5]-[#8:6]-[C:7](-[c:8])-[#8:9]-[C:10]-2-[C:11]-1.[#7;a:12]:[c:13]:[nH;D2;+0:14]:[c:15] 8d47634595b7ad61a961d746b9a9055b0c5d67250b7a8dd8cc69a1ae5a649cda O=S(=O)(O[C@H:5]1[CH2:6][O:7][C@@H:8]2[CH2:9][O:10][CH:11]([c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[O:18][C@H:19]2[C@H:20]1[F:21])C(F)(F)F.[CH3:1][c:2]1[cH:3][nH:4][c:22](=[O:23])[n:24]([CH2:25][O:26][CH2:27][CH2:28][Si:29]([CH3:30])([CH3:31])[CH3:32])[c:33]1=[O:34]>CN(C)C=O.[HH].[Na+]>[CH3:1][c:2]1[cH:3][n:4]([C@@H:5]2[CH2:6][O:7][C@@H:8]3[CH2:9][O:10][CH:11]([c:12]4[cH:13][cH:14][cH:15][cH:16][cH:17]4)[O:18][C@H:19]3[C@H:20]2[F:21])[c:22](=[O:23])[n:24]([CH2:25][O:26][CH2:27][CH2:28][Si:29]([CH3:30])([CH3:31])[CH3:32])[c:33]1=[O:34] IKCNQZBSURRPMX-UHFFFAOYSA-N.VBTCZEGNJJHLKV-KZKMVBDOSA-N>>NYRMOSREKLYIOA-OCAHFIFXSA-N 0.0 Unrecognized False stereospecific False [#7;a:12]:[c:13]:[n;H0;D3;+0:14](:[c:15])-[C@H;D3;+0:1]1-[C:2]-[C:3]2-[#8:4]-[C:5](-[c:6])-[#8:7]-[C:8]-[C:9]-2-[#8:10]-[C:11]-1>>F-C(-F)(-F)-S(=O)(=O)-O-[C@@H;D3;+0:1]1-[C:2]-[C:3]2-[#8:4]-[C:5](-[c:6])-[#8:7]-[C:8]-[C:9]-2-[#8:10]-[C:11]-1.[#7;a:12]:[c:13]:[nH;D2;+0:14]:[c:15] 88b157fd7603e7d35f0181ef0fd4d75dadf591a6b1c9cf00938ebc77cba32911 O=S(=O)(O[C@H:16]1[CH2:17][O:18][C@@H:19]2[CH2:20][O:21][CH:22]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[O:29][C@H:30]2[C@H:31]1[F:32])C(F)(F)F.[CH3:1][Si:2]([CH3:3])([CH3:4])[CH2:5][CH2:6][O:7][CH2:8][n:9]1[c:10](=[O:11])[c:12]([I:13])[cH:14][nH:15][c:33]1=[O:34]>CN(C)C=O.[HH].[Na+]>[CH3:1][Si:2]([CH3:3])([CH3:4])[CH2:5][CH2:6][O:7][CH2:8][n:9]1[c:10](=[O:11])[c:12]([I:13])[cH:14][n:15]([C@@H:16]2[CH2:17][O:18][C@@H:19]3[CH2:20][O:21][CH:22]([c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[O:29][C@H:30]3[C@H:31]2[F:32])[c:33]1=[O:34] VBTCZEGNJJHLKV-KZKMVBDOSA-N.WFZMWCRWOVVYDD-UHFFFAOYSA-N>>JDTYDQQGKLJYHF-GDFBDPINSA-N 0.0 Unrecognized False stereospecific False [#7;a:12]:[c:13]:[n;H0;D3;+0:14](:[c:15])-[C@@H;D3;+0:1]1-[C:2]-[#8:3]-[C:4]2-[C:5]-[#8:6]-[C:7](-[c:8])-[#8:9]-[C:10]-2-[C:11]-1>>F-C(-F)(-F)-S(=O)(=O)-O-[C@H;D3;+0:1]1-[C:2]-[#8:3]-[C:4]2-[C:5]-[#8:6]-[C:7](-[c:8])-[#8:9]-[C:10]-2-[C:11]-1.[#7;a:12]:[c:13]:[nH;D2;+0:14]:[c:15] 8d47634595b7ad61a961d746b9a9055b0c5d67250b7a8dd8cc69a1ae5a649cda O=S(=O)(O[C@H:16]1[CH2:17][O:18][C@@H:19]2[CH2:20][O:21][CH:22]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[O:29][C@H:30]2[C@@H:31]1[F:32])C(F)(F)F.[CH3:1][Si:2]([CH3:3])([CH3:4])[CH2:5][CH2:6][O:7][CH2:8][n:9]1[c:10](=[O:11])[c:12]([I:13])[cH:14][nH:15][c:33]1=[O:34]>CN(C)C=O.[HH].[Na+]>[CH3:1][Si:2]([CH3:3])([CH3:4])[CH2:5][CH2:6][O:7][CH2:8][n:9]1[c:10](=[O:11])[c:12]([I:13])[cH:14][n:15]([C@@H:16]2[CH2:17][O:18][C@@H:19]3[CH2:20][O:21][CH:22]([c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[O:29][C@H:30]3[C@@H:31]2[F:32])[c:33]1=[O:34] VBTCZEGNJJHLKV-ZLUZDFLPSA-N.WFZMWCRWOVVYDD-UHFFFAOYSA-N>>JDTYDQQGKLJYHF-JKXXWOPSSA-N 0.0 Unrecognized False stereospecific False [#7;a:12]:[c:13]:[n;H0;D3;+0:14](:[c:15])-[C@@H;D3;+0:1]1-[C:2]-[#8:3]-[C:4]2-[C:5]-[#8:6]-[C:7](-[c:8])-[#8:9]-[C:10]-2-[C:11]-1>>F-C(-F)(-F)-S(=O)(=O)-O-[C@H;D3;+0:1]1-[C:2]-[#8:3]-[C:4]2-[C:5]-[#8:6]-[C:7](-[c:8])-[#8:9]-[C:10]-2-[C:11]-1.[#7;a:12]:[c:13]:[nH;D2;+0:14]:[c:15] 8d47634595b7ad61a961d746b9a9055b0c5d67250b7a8dd8cc69a1ae5a649cda O=S(=O)(O[C@H:7]1[CH2:8][O:9][C@@H:10]2[CH2:11][O:12][CH:13]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[O:20][C@H:21]2[C@@H:22]1[F:23])C(F)(F)F.[NH2:1][c:2]1[n:3][c:4](=[O:5])[nH:6][cH:24][cH:25]1>C1CCOC1.CCCCCC.CS(C)=O.[Li]CCCC>[NH2:1][c:2]1[n:3][c:4](=[O:5])[n:6]([C@@H:7]2[CH2:8][O:9][C@@H:10]3[CH2:11][O:12][CH:13]([c:14]4[cH:15][cH:16][cH:17][cH:18][cH:19]4)[O:20][C@H:21]3[C@@H:22]2[F:23])[cH:24][cH:25]1 OPTASPLRGRRNAP-UHFFFAOYSA-N.VBTCZEGNJJHLKV-ZLUZDFLPSA-N>>HDPJJYWRTFAYCH-KGFCIHEASA-N 0.0 Unrecognized False stereospecific False [#7;a:12]:[c:13]:[n;H0;D3;+0:14](:[c:15])-[C@H;D3;+0:1]1-[C:2]-[C:3]2-[#8:4]-[C:5](-[c:6])-[#8:7]-[C:8]-[C:9]-2-[#8:10]-[C:11]-1>>F-C(-F)(-F)-S(=O)(=O)-O-[C@@H;D3;+0:1]1-[C:2]-[C:3]2-[#8:4]-[C:5](-[c:6])-[#8:7]-[C:8]-[C:9]-2-[#8:10]-[C:11]-1.[#7;a:12]:[c:13]:[nH;D2;+0:14]:[c:15] 88b157fd7603e7d35f0181ef0fd4d75dadf591a6b1c9cf00938ebc77cba32911 Cc1ccc(S(=O)(=O)O[C@@H:5]2[CH2:6][O:7][C@@H:8]3[CH2:9][O:10][CH:11]([c:12]4[cH:13][cH:14][cH:15][cH:16][cH:17]4)[O:18][C@H:19]3[CH2:20]2)cc1.[CH3:1][c:2]1[cH:3][nH:4][c:21](=[O:22])[nH:23][c:24]1=[O:25]>CCOC(C)=O.CN(C)C=O.[HH].[Li+]>[CH3:1][c:2]1[cH:3][n:4]([C@H:5]2[CH2:6][O:7][C@@H:8]3[CH2:9][O:10][CH:11]([c:12]4[cH:13][cH:14][cH:15][cH:16][cH:17]4)[O:18][C@H:19]3[CH2:20]2)[c:21](=[O:22])[nH:23][c:24]1=[O:25] RWQNBRDOKXIBIV-UHFFFAOYSA-N.XKHHGLKVQIEAKW-DAABDDCCSA-N>>FMYZRWWKHDJURY-AWVCJSPBSA-N 0.0 Unrecognized False stereospecific False [#7;a:12]:[c:13]:[n;H0;D3;+0:14](:[c:15])-[C@@H;D3;+0:1]1-[C:2]-[C:3]2-[#8:4]-[C:5](-[c:6])-[#8:7]-[C:8]-[C:9]-2-[#8:10]-[C:11]-1>>C-c1:c:c:c(-S(=O)(=O)-O-[C@H;D3;+0:1]2-[C:2]-[C:3]3-[#8:4]-[C:5](-[c:6])-[#8:7]-[C:8]-[C:9]-3-[#8:10]-[C:11]-2):c:c:1.[#7;a:12]:[c:13]:[nH;D2;+0:14]:[c:15] 17f87ef4ce6f28fb2fba26acdf1aef26b2509af3e3397faf84f65f4ac88cfd3a Cc1ccc(S(=O)(=O)O[C@@H:6]2[CH2:7][O:8][C@@H:9]3[CH2:10][O:11][CH:12]([c:13]4[cH:14][cH:15][cH:16][cH:17][cH:18]4)[O:19][C@H:20]3[CH2:21]2)cc1.[O:1]=[c:2]1[cH:3][cH:4][nH:5][c:22](=[O:23])[nH:24]1>CCOC(C)=O.CN(C)C=O.[HH].[Na+]>[O:1]=[c:2]1[cH:3][cH:4][n:5]([C@H:6]2[CH2:7][O:8][C@@H:9]3[CH2:10][O:11][CH:12]([c:13]4[cH:14][cH:15][cH:16][cH:17][cH:18]4)[O:19][C@H:20]3[CH2:21]2)[c:22](=[O:23])[nH:24]1 ISAKRJDGNUQOIC-UHFFFAOYSA-N.XKHHGLKVQIEAKW-DAABDDCCSA-N>>NQHVAFONVMTDJA-MHRDGSLOSA-N 0.0 Unrecognized False stereospecific False [#7;a:12]:[c:13]:[n;H0;D3;+0:14](:[c:15])-[C@@H;D3;+0:1]1-[C:2]-[C:3]2-[#8:4]-[C:5](-[c:6])-[#8:7]-[C:8]-[C:9]-2-[#8:10]-[C:11]-1>>C-c1:c:c:c(-S(=O)(=O)-O-[C@H;D3;+0:1]2-[C:2]-[C:3]3-[#8:4]-[C:5](-[c:6])-[#8:7]-[C:8]-[C:9]-3-[#8:10]-[C:11]-2):c:c:1.[#7;a:12]:[c:13]:[nH;D2;+0:14]:[c:15] 17f87ef4ce6f28fb2fba26acdf1aef26b2509af3e3397faf84f65f4ac88cfd3a Cc1ccc(S(=O)(=O)O[C@@H:7]2[CH2:8][O:9][C@@H:10]3[CH2:11][O:12][CH:13]([c:14]4[cH:15][cH:16][cH:17][cH:18][cH:19]4)[O:20][C@H:21]3[CH2:22]2)cc1.[O:1]=[c:2]1[nH:3][c:4](=[O:5])[nH:6][cH:23][c:24]1[I:25]>CCOC(C)=O.CN(C)C=O.[HH].[Na+]>[O:1]=[c:2]1[nH:3][c:4](=[O:5])[n:6]([C@H:7]2[CH2:8][O:9][C@@H:10]3[CH2:11][O:12][CH:13]([c:14]4[cH:15][cH:16][cH:17][cH:18][cH:19]4)[O:20][C@H:21]3[CH2:22]2)[cH:23][c:24]1[I:25] KSNXJLQDQOIRIP-UHFFFAOYSA-N.XKHHGLKVQIEAKW-DAABDDCCSA-N>>ZDXGSQJKKRCKSB-GVCFFYALSA-N 0.0 Unrecognized False stereospecific False [#7;a:12]:[c:13]:[n;H0;D3;+0:14](:[c:15])-[C@@H;D3;+0:1]1-[C:2]-[C:3]2-[#8:4]-[C:5](-[c:6])-[#8:7]-[C:8]-[C:9]-2-[#8:10]-[C:11]-1>>C-c1:c:c:c(-S(=O)(=O)-O-[C@H;D3;+0:1]2-[C:2]-[C:3]3-[#8:4]-[C:5](-[c:6])-[#8:7]-[C:8]-[C:9]-3-[#8:10]-[C:11]-2):c:c:1.[#7;a:12]:[c:13]:[nH;D2;+0:14]:[c:15] 17f87ef4ce6f28fb2fba26acdf1aef26b2509af3e3397faf84f65f4ac88cfd3a [CH:1]#[C:2][C@:3]1([OH:4])[CH2:5][CH2:6][C@H:7]2[C@H:8]3[C@H:9]([CH2:10][CH2:11][C@:12]12[CH3:13])[C:14]1=[C:15]([CH2:16][C:17](=[O:18])[CH2:19][CH2:20]1)[CH2:21][C@H:22]3[CH3:23]>ClCCl.B.[Na+]>[CH:1]#[C:2][C@:3]1([OH:4])[CH2:5][CH2:6][C@H:7]2[C@H:8]3[C@H:9]([CH2:10][CH2:11][C@:12]12[CH3:13])[C:14]1=[C:15]([CH2:16][C@@H:17]([OH:18])[CH2:19][CH2:20]1)[CH2:21][C@H:22]3[CH3:23] WZDGZWOAQTVYBX-XOINTXKNSA-N>>YLEUWNOTNJZCBN-XAAPQAIWSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[C:1]=[C:2]-[C:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] a151f5e9b802151b9faa8b0e95d37e4b20ecdf5020ffa32b2705f9b7a2e484eb N[C@@H:4]([C:2](=[O:1])[OH:3])[CH2:6][CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11]1.[OH2:5]>O=NO.O=S(=O)(O)O.[Na+]>[O:1]=[C:2]([OH:3])[C@H:4]([OH:5])[CH2:6][CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11]1 KDYAKYRBGLKMAK-SSDOTTSWSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>JYUQCNGBJBUVGK-SSDOTTSWSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[OH;D1;+0:6])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[OH2;D0;+0:6] 597e60c00d458940162d7a3f76139b2de64f6543c2b538d3961221d7df07e2ca O=S(=O)(O[C@@H:5]([C:3]([O:2][CH3:1])=[O:4])[CH2:6][CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11]1)C(F)(F)F.[nH:12]1[cH:13][cH:14][c:15]([C:16]([F:17])([F:18])[F:19])[cH:20][c:21]1=[O:22]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][O:2][C:3](=[O:4])[C@H:5]([CH2:6][CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11]1)[n:12]1[cH:13][cH:14][c:15]([C:16]([F:17])([F:18])[F:19])[cH:20][c:21]1=[O:22] IKHLLNMSMFVTLP-UHFFFAOYSA-N.LLEAPZQEGKSDNL-MRVPVSSYSA-N>>LACCTXBHDIZBBH-LBPRGKRZSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3](=[O;D1;H0:4])-[#8:5]-[C;D1;H3:6])-[n;H0;D3;+0:8](:[c:7]):[c:9]>>F-C(-F)(-F)-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C;D1;H3:6].[c:7]:[nH;D2;+0:8]:[c:9] a5f2d884863857e80c512b563358c1e618d615dae0b2c8fdae87c4436dcf845b O=S(=O)(O[C@@H:5]([C:3]([O:2][CH3:1])=[O:4])[CH2:6][CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11]1)C(F)(F)F.[nH:12]1[cH:13][c:14]([C:15]([F:16])([F:17])[F:18])[cH:19][cH:20][c:21]1=[O:22]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][O:2][C:3](=[O:4])[C@H:5]([CH2:6][CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11]1)[n:12]1[cH:13][c:14]([C:15]([F:16])([F:17])[F:18])[cH:19][cH:20][c:21]1=[O:22] BYRJSCNPUHYZQE-UHFFFAOYSA-N.LLEAPZQEGKSDNL-MRVPVSSYSA-N>>NPUSVRZPCZSMMX-LBPRGKRZSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3](=[O;D1;H0:4])-[#8:5]-[C;D1;H3:6])-[n;H0;D3;+0:8](:[c:7]):[c:9]>>F-C(-F)(-F)-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C;D1;H3:6].[c:7]:[nH;D2;+0:8]:[c:9] a5f2d884863857e80c512b563358c1e618d615dae0b2c8fdae87c4436dcf845b N[C@@H:4]([C:2](=[O:1])[OH:3])[CH2:6][CH:7]1[CH2:8][CH2:9][O:10][CH2:11][CH2:12]1.[OH2:5]>O=NO.O=S(=O)(O)O.[Na+]>[O:1]=[C:2]([OH:3])[C@H:4]([OH:5])[CH2:6][CH:7]1[CH2:8][CH2:9][O:10][CH2:11][CH2:12]1 JSHHRIISICNOLM-SSDOTTSWSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>PNYHOVZKYXHIRF-SSDOTTSWSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[OH;D1;+0:6])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[OH2;D0;+0:6] 597e60c00d458940162d7a3f76139b2de64f6543c2b538d3961221d7df07e2ca O=[CH:17][c:16]1[c:8]([N:7]2[CH2:6][C@H:4]([CH3:5])[O:3][C@H:2]([CH3:1])[CH2:27]2)[c:9]([Cl:10])[c:11]([F:12])[c:13]([Br:14])[n:15]1.[CH2:18]1[C:19](=[O:20])[NH:21][C:22](=[O:23])[NH:24][C:25]1=[O:26]>CC(=O)O.O>[CH3:1][C@@H:2]1[O:3][C@H:4]([CH3:5])[CH2:6][N:7]2[c:8]3[c:9]([Cl:10])[c:11]([F:12])[c:13]([Br:14])[n:15][c:16]3[CH2:17][C:18]3([C:19](=[O:20])[NH:21][C:22](=[O:23])[NH:24][C:25]3=[O:26])[C@@H:27]12 HNYOPLTXPVRDBG-UHFFFAOYSA-N.QPMRVVPJLJNSGD-KNVOCYPGSA-N>>SGMZEZHYIXXJAK-LJNABYEQSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D4;+0:6]1-[C@@H;D3;+0:5]-[N;H0;D3;+0:4]-[c;H0;D3;+0:3]:[c;H0;D3;+0:2]-[CH2;D2;+0:1]-1>>O=[CH;D2;+0:1]-[c;H0;D3;+0:2]:[c;H0;D3;+0:3]-[N;H0;D3;+0:4]-[CH2;D2;+0:5].[CH2;D2;+0:6] 33a55cecae4c9888e9e04f7137c4d1dcf6443273819f6dca14ede68d1a3b30da O=[CH:15][c:14]1[c:8]([N:7]2[CH2:6][C@@H:4]([CH3:5])[O:3][C@@H:2]([CH3:1])[CH2:25]2)[cH:9][c:10]([Cl:11])[n:12][cH:13]1.[CH2:16]1[C:17](=[O:18])[NH:19][C:20](=[O:21])[NH:22][C:23]1=[O:24]>>[CH3:1][C@@H:2]1[O:3][C@H:4]([CH3:5])[CH2:6][N:7]2[c:8]3[cH:9][c:10]([Cl:11])[n:12][cH:13][c:14]3[CH2:15][C:16]3([C:17](=[O:18])[NH:19][C:20](=[O:21])[NH:22][C:23]3=[O:24])[C@@H:25]12 CTJNVSHPYXTCKT-DTORHVGOSA-N.HNYOPLTXPVRDBG-UHFFFAOYSA-N>>LQGZBXIXPWQWTH-RGNHYFCHSA-N 0.0 Unrecognized True substrate controlled False [C;H0;D4;+0:6]1-[C@@H;D3;+0:5]-[N;H0;D3;+0:4]-[c;H0;D3;+0:3]:[c;H0;D3;+0:2]-[CH2;D2;+0:1]-1>>O=[CH;D2;+0:1]-[c;H0;D3;+0:2]:[c;H0;D3;+0:3]-[N;H0;D3;+0:4]-[CH2;D2;+0:5].[CH2;D2;+0:6] 33a55cecae4c9888e9e04f7137c4d1dcf6443273819f6dca14ede68d1a3b30da Br[c:3]1[c:2]([F:1])[cH:26][cH:25][c:23]([Br:24])[cH:22]1.[C:4]12=[N:21][O:20][CH2:19][C@@H:18]1[CH2:17][C@H:7]([CH2:8][O:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[O:6][CH2:5]2>C1CCOC1.C1CCOC1.Cc1ccccc1.Cc1ccccc1.Cl.[Li]CCCC.N>[F:1][c:2]1[c:3]([C@:4]23[CH2:5][O:6][C@@H:7]([CH2:8][O:9][CH2:10][c:11]4[cH:12][cH:13][cH:14][cH:15][cH:16]4)[CH2:17][C@H:18]2[CH2:19][O:20][NH:21]3)[cH:22][c:23]([Br:24])[cH:25][cH:26]1 LXYBKZVFHKHLSR-QWHCGFSZSA-N.MKHDDTWHDFVYDQ-UHFFFAOYSA-N>>OYLAOWCOPPLBGY-VPWXQRGCSA-N 0.0 Unrecognized False substrate controlled False [#8:4]-[NH;D2;+0:5]-[C@;H0;D4;+0:6](-[C:7])(-[C:8]-[#8:9])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>Br-[c;H0;D3;+0:1](:[c:2]):[c:3].[#8:4]-[N;H0;D2;+0:5]=[C;H0;D3;+0:6](-[C:7])-[C:8]-[#8:9] 94aff8ccc3794f4bf8b9b6a5279f7ae21e910dfc697ba561a1651c976af2e705 [CH3:1][CH2:2][O:3][C:4](=[O:5])[CH:6]=[C:7]1[CH2:8][CH2:9][N:10]2[C:11](=[O:12])[O:13][CH2:14][C@H:15]2[CH2:16]1>CO.O.O.[Pd+2]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C@H:7]1[CH2:8][CH2:9][N:10]2[C:11](=[O:12])[O:13][CH2:14][C@H:15]2[CH2:16]1 DDNZVSMAEPOSSF-SECBINFHSA-N>>RTSNYEHAOCJXSA-DTWKUNHWSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[CH2;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[CH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9] 0022a460cfeab7c3344032f18c80fa5e6a335be807d569b9cc6e853320d227b8 [CH3:1][CH2:2][O:3][C:4](=[O:5])[CH:6]=[C:7]1[CH2:8][CH2:9][N:10]2[C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[C@H:17]2[CH2:18]1>CO.O.O.[Pd+2]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][C@H:7]1[CH2:8][CH2:9][N:10]2[C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[C@H:17]2[CH2:18]1 NQNRPAOYXRBDLY-SNVBAGLBSA-N>>MBKSUSOYNZEEFZ-VHSXEESVSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[CH2;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[CH;D2;+0:4]-[C:5](=[O;D1;H0:6])-[#8:7]-[C:8]-[C;D1;H3:9] 0022a460cfeab7c3344032f18c80fa5e6a335be807d569b9cc6e853320d227b8 [CH3:1][C:2](=[O:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C:11]4=[CH:12][C:13](=[O:14])[CH2:15][CH2:16][C@:17]4([CH3:18])[C@H:19]3[CH2:20][CH2:21][C@:22]12[CH3:23]>CCO.Cc1ccccc1.O=C(O)O.[Ca+2].[K+].O.[Pd]>[CH3:1][C:2](=[O:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C@@H:11]4[CH2:12][C:13](=[O:14])[CH2:15][CH2:16][C@:17]4([CH3:18])[C@H:19]3[CH2:20][CH2:21][C@:22]12[CH3:23] RJKFOVLPORLFTN-LEKSSAKUSA-N>>XMRPGKVKISIQBV-XWOJZHJZSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[CH2;D2;+0:4]-[C:5]=[O;D1;H0:6]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[CH;D2;+0:4]-[C:5]=[O;D1;H0:6] e8d4f1f8149597570a8322f400fb98a7d2abf7f149d24a71d72a23f2556221b5 Br[CH2:14][c:15]1[cH:16][c:17]2[c:18]([cH:19][cH:20]1)[O:21][CH2:22][CH2:23][O:24]2.[CH3:1][O:2][C:3]1=[N:4][C@H:5]([CH:6]([CH3:7])[CH3:8])[C:9]([O:10][CH3:11])=[N:12][CH2:13]1>C1CCOC1.[Li]CCCC>[CH3:1][O:2][C:3]1=[N:4][C@H:5]([CH:6]([CH3:7])[CH3:8])[C:9]([O:10][CH3:11])=[N:12][C@H:13]1[CH2:14][c:15]1[cH:16][c:17]2[c:18]([cH:19][cH:20]1)[O:21][CH2:22][CH2:23][O:24]2 DQYOHFCVPNOXQQ-UHFFFAOYSA-N.FCFWEOGTZZPCTO-MRVPVSSYSA-N>>BQOJXBWVARKIAV-XJKSGUPXSA-N 0.0 Unrecognized False substrate controlled False [#7:3]=[C:4]-[C@@H;D3;+0:5](-[#7:6]=[C:7])-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]=[C:4]-[CH2;D2;+0:5]-[#7:6]=[C:7] 8ae87320ea55b898c068a2bfc341489ff469f2b58b37d2addc3e7e398f6c02b1 Br[Mg][CH2:2][CH3:1].[C:3]([CH3:4])(=[O:5])[C@H:6]([CH3:7])[NH:8][C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15]>C1CCOC1.CCOC(C)=O.CCOCC.Cl>[CH3:1][CH2:2][C@:3]([CH3:4])([OH:5])[C@H:6]([CH3:7])[NH:8][C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15] NUAKKRMYBBXGFP-LURJTMIESA-N.TWTWFMUQSOFTRN-UHFFFAOYSA-M>>KICLCVSTABQWLK-KWQFWETISA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@@;H0;D4;+0:4](-[C;D1;H3:5])(-[OH;D1;+0:6])-[CH2;D2;+0:1]-[C;D1;H3:2]>>Br-[Mg]-[CH2;D2;+0:1]-[C;D1;H3:2].[C:3]-[C;H0;D3;+0:4](-[C;D1;H3:5])=[O;H0;D1;+0:6] 3f325f105fe9dfc88d1824467a59179d833683f512ab7f0e7e2eb7e9d0c88218 O[C@@H:4]([CH2:3][O:2][CH3:1])[CH3:5].[OH:6][c:7]1[cH:8][c:9]([C:10]#[N:11])[c:12]([NH2:13])[c:14]([O:15][CH2:16][CH2:17][c:18]2[n:19][cH:20][cH:21][cH:22][cH:23]2)[cH:24]1>C1CCOC1.CCCCP(CCCC)CCCC.O=C(N=NC(=O)N1CCCCC1)N1CCCCC1>[CH3:1][O:2][CH2:3][C@H:4]([CH3:5])[O:6][c:7]1[cH:8][c:9]([C:10]#[N:11])[c:12]([NH2:13])[c:14]([O:15][CH2:16][CH2:17][c:18]2[n:19][cH:20][cH:21][cH:22][cH:23]2)[cH:24]1 ARXJGSRGQADJSQ-SCSAIBSYSA-N.ZPFXBUPTOFRIPO-UHFFFAOYSA-N>>MZZOLNMMGZRDPJ-ZDUSSCGKSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C;D1;H3:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[C;D1;H3:3].[OH;D1;+0:4]-[c:5] 215ef75a5d4d29f822381b6a3a84fb2630a5ecc01b2c1b094de19262a4445dad [CH2:1]=[CH:2][CH2:3][C@@:4]12[CH2:5][CH2:6][CH2:7][C@@H:8]([C:9](=[O:10])[CH2:11][C:12](=[CH2:13])[CH3:14])[C@@H:15]1[C:16]1([CH2:17][CH2:18]2)[O:19][CH2:20][CH2:21][O:22]1>C1CCOC1.[Al+3].[HH].[HH].[HH].[HH].[Li+]>[CH2:1]=[CH:2][CH2:3][C@@:4]12[CH2:5][CH2:6][CH2:7][C@@H:8]([C@@H:9]([OH:10])[CH2:11][C:12](=[CH2:13])[CH3:14])[C@@H:15]1[C:16]1([CH2:17][CH2:18]2)[O:19][CH2:20][CH2:21][O:22]1 ISWKYBZZUWKNBY-SZMVWBNQSA-N>>LOLNIIZAQNDFJP-XSLAGTTESA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]-[C:5]=[C;D1;H2:6]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]-[C:5]=[C;D1;H2:6] a151f5e9b802151b9faa8b0e95d37e4b20ecdf5020ffa32b2705f9b7a2e484eb [CH3:1][O:2][c:3]1[c:4]([O:5][CH3:6])[cH:7][c:8]([CH2:9][CH2:10][C:11](=[O:12])[c:13]2[c:14]([O:15][CH2:16][C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[cH:24][cH:25][cH:26][cH:27]2)[cH:28][cH:29]1>C1CCOC1.CCOC(C)=O.C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C.OCCNCCO>[CH3:1][O:2][c:3]1[c:4]([O:5][CH3:6])[cH:7][c:8]([CH2:9][CH2:10][C@@H:11]([OH:12])[c:13]2[c:14]([O:15][CH2:16][C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[cH:24][cH:25][cH:26][cH:27]2)[cH:28][cH:29]1 LOBFCHHZVBJPOE-UHFFFAOYSA-N>>DEPRYKQVMLMYNL-GOSISDBHSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 Br[Mg][c:5]1[cH:4][cH:3][c:2]([CH3:1])[cH:33][cH:32]1.[CH:6](=[O:7])[c:8]1[c:9]([I:10])[c:11]2[c:12]([n:27][c:28]1[CH:29]([CH3:30])[CH3:31])[CH2:13][C:14]([CH3:15])([CH3:16])[CH2:17][C@@H:18]2[O:19][Si:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[CH3:26]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([C@H:6]([OH:7])[c:8]2[c:9]([I:10])[c:11]3[c:12]([n:27][c:28]2[CH:29]([CH3:30])[CH3:31])[CH2:13][C:14]([CH3:15])([CH3:16])[CH2:17][C@@H:18]3[O:19][Si:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[CH3:26])[cH:32][cH:33]1 HPNNWLIDGYVIJZ-INIZCTEOSA-N.ZRJNGFJIBZKXTP-UHFFFAOYSA-M>>KJHBQSRVZVDBCM-LVXARBLLSA-N 0.0 Unrecognized False substrate controlled False [#7;a:4]:[c:5]:[c:6]-[C@@H;D3;+0:7](-[OH;D1;+0:8])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>Br-[Mg]-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7;a:4]:[c:5]:[c:6]-[CH;D2;+0:7]=[O;H0;D1;+0:8] f4aa5dad62924ac5b67aef588ecb12a87383ad96436c2523418e67a5007a622d O=C(O[OH:15])c1cccc(Cl)c1.[O:1]=[C:2]([O:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[C@H:11]1[CH2:12][CH2:13][CH:14]=[CH:16][CH2:17]1>ClCCl.O=S(O)(O)=S.[Na+].[Na+]>[O:1]=[C:2]([O:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[C@H:11]1[CH2:12][CH2:13][C@@H:14]2[O:15][C@@H:16]2[CH2:17]1 MJEQUKHBEDFOSW-CYBMUJFWSA-N.NHQDETIJWKXCTC-UHFFFAOYSA-N>>UOVDIPXXHMEBIV-RWMBFGLXSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3]1-[O;H0;D2;+0:1]-[C@H;D3;+0:4]-1-[C:5]>>Cl-c1:c:c:c:c(-C(=O)-O-[OH;D1;+0:1]):c:1.[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5] c347e171e5b6b45a33e6b67f722aa99cc6e0f8560df6c504bf73b47d0d8c6558 [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C:10](=[O:11])[C:12]([CH3:13])([CH3:14])[C@H:15]1[C:16](=[O:17])[OH:18]>CC(=O)O.ClCCl.O.BC#N.Cl.[Na+].[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][C@H:10]([OH:11])[C:12]([CH3:13])([CH3:14])[C@H:15]1[C:16](=[O:17])[OH:18] FRSSMZRTGRGDJR-MRVPVSSYSA-N>>KHLBNVGMWMAGJM-JGVFFNPUSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] c7141aa1a34c4e147cfd9de52aa8c78fb066c1910e339995b420913d91a2e11a [CH3:1][O:2][c:3]1[c:4]([O:5][CH3:6])[cH:7][c:8]([CH2:9][CH2:10][C:11](=[O:12])[c:13]2[c:14]([O:15][CH2:16][C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[cH:24][cH:25][cH:26][cH:27]2)[cH:28][cH:29]1>C1CCOC1.CCOC(C)=O.C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C.OCCNCCO>[CH3:1][O:2][c:3]1[c:4]([O:5][CH3:6])[cH:7][c:8]([CH2:9][CH2:10][C@@H:11]([OH:12])[c:13]2[c:14]([O:15][CH2:16][C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[cH:24][cH:25][cH:26][cH:27]2)[cH:28][cH:29]1 LOBFCHHZVBJPOE-UHFFFAOYSA-N>>DEPRYKQVMLMYNL-GOSISDBHSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [N:1]#[C:2][c:3]1[cH:4][n:5][cH:6][c:7](-[c:8]2[cH:9][cH:10][c:11]3[c:26]([cH:27]2)[C:20]2([C@@H:19]4[C@@H:13]([O:12]3)[CH2:14][CH2:15][C:16](=[O:17])[CH2:18]4)[CH2:21][O:22][C:23]([NH2:24])=[N:25]2)[cH:28]1>C1CCOC1.CO.B.[Na+]>[N:1]#[C:2][c:3]1[cH:4][n:5][cH:6][c:7](-[c:8]2[cH:9][cH:10][c:11]3[c:26]([cH:27]2)[C:20]2([C@@H:19]4[C@@H:13]([O:12]3)[CH2:14][CH2:15][C@H:16]([OH:17])[CH2:18]4)[CH2:21][O:22][C:23]([NH2:24])=[N:25]2)[cH:28]1 CNXORUCADCMCIC-PZFGBKGUSA-N>>FPWBSVSXYZOAKC-AUABHZGBSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C:2]1=[CH:3][C:4](=[O:5])[C@@H:6]2[CH2:7][C@H:8]1[C:9]2([CH3:10])[CH3:11]>CCOCC.O.[Al+3].F.[HH].[HH].[HH].[HH].[Li+].[Na+].[Na+].O>[CH3:1][C:2]1=[CH:3][C@@H:4]([OH:5])[C@@H:6]2[CH2:7][C@H:8]1[C:9]2([CH3:10])[CH3:11] DCSCXTJOXBUFGB-SFYZADRCSA-N>>WONIGEXYPVIKFS-HRDYMLBCSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[C:1]=[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 3d438d587d87521e60f8311dfb4f60605630598ea592a8172db481577c2b213e [CH3:1][S:2](=[O:3])(=[O:4])[N:5]1[CH2:6][CH2:7][N:8]([C@@H:9]([CH2:11][NH:12][C:13](=[O:14])[c:15]2[cH:16][cH:17][c:18]([O:19][CH2:20][C:21]#[C:22][CH2:23][OH:24])[cH:25][cH:26]2)[C:27]([NH:28][OH:10])=[O:29])[CH2:30][CH2:31]1>CS(=O)(=O)N1CCN([C@@H](CNC(=O)c2ccc(OCC#CCO)cc2)C(=O)O)CC1>[CH3:1][S:2](=[O:3])(=[O:4])[N:5]1[CH2:6][CH2:7][N:8]([C@:9]([OH:10])([CH2:11][NH:12][C:13](=[O:14])[c:15]2[cH:16][cH:17][c:18]([O:19][CH2:20][C:21]#[C:22][CH2:23][OH:24])[cH:25][cH:26]2)[C:27]([NH2:28])=[O:29])[CH2:30][CH2:31]1 VGFQYXCZLQMABL-KRWDZBQOSA-N>>NIZIWYVPSYFTAZ-IBGZPJMESA-N 0.0 Unrecognized False stereospecific False [#7:1]-[C@@;H0;D4;+0:2](-[C:3])(-[OH;D1;+0:7])-[C:4](-[NH2;D1;+0:6])=[O;D1;H0:5]>>[#7:1]-[C@@H;D3;+0:2](-[C:3])-[C:4](=[O;D1;H0:5])-[NH;D2;+0:6]-[OH;D1;+0:7] 087ad945abded10b94f2f1ad743d083bf712e2d169b263cbda58f9babefd9b30 [CH3:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]([CH2:11][O:12][c:13]2[cH:14][cH:15][c:16]([C:17](=[O:18])[NH:19][CH2:20][C@@H:21]([C:23]([NH:24][OH:22])=[O:25])[N:26]3[CH2:27][CH2:28][N:29]([CH2:30][c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[CH2:37][CH2:38]3)[cH:39][cH:40]2)[cH:41]1>Cc1cc(COc2ccc(C(=O)NC[C@@H](C(=O)O)N3CCN(Cc4ccccc4)CC3)cc2)c2ccccc2n1>[CH3:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[c:10]([CH2:11][O:12][c:13]2[cH:14][cH:15][c:16]([C:17](=[O:18])[NH:19][CH2:20][C@:21]([OH:22])([C:23]([NH2:24])=[O:25])[N:26]3[CH2:27][CH2:28][N:29]([CH2:30][c:31]4[cH:32][cH:33][cH:34][cH:35][cH:36]4)[CH2:37][CH2:38]3)[cH:39][cH:40]2)[cH:41]1 ITKDYCRBDBIBLL-PMERELPUSA-N>>FIYYGWRHAJVEAJ-YTTGMZPUSA-N 0.0 Unrecognized False stereospecific False [#7:1]-[C@@;H0;D4;+0:2](-[C:3])(-[OH;D1;+0:7])-[C:4](-[NH2;D1;+0:6])=[O;D1;H0:5]>>[#7:1]-[C@@H;D3;+0:2](-[C:3])-[C:4](=[O;D1;H0:5])-[NH;D2;+0:6]-[OH;D1;+0:7] 087ad945abded10b94f2f1ad743d083bf712e2d169b263cbda58f9babefd9b30 [CH3:1][CH2:2][N:3]1[CH2:4][CH2:5][N:6]([C@@H:7]([CH2:9][NH:10][C:11](=[O:12])[c:13]2[cH:14][cH:15][c:16]([O:17][CH2:18][c:19]3[cH:20][c:21]([CH3:22])[n:23][c:24]4[cH:25][cH:26][cH:27][cH:28][c:29]34)[cH:30][cH:31]2)[C:32]([NH:33][OH:8])=[O:34])[CH2:35][CH2:36]1>CCN1CCN([C@@H](CNC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(=O)O)CC1>[CH3:1][CH2:2][N:3]1[CH2:4][CH2:5][N:6]([C@:7]([OH:8])([CH2:9][NH:10][C:11](=[O:12])[c:13]2[cH:14][cH:15][c:16]([O:17][CH2:18][c:19]3[cH:20][c:21]([CH3:22])[n:23][c:24]4[cH:25][cH:26][cH:27][cH:28][c:29]34)[cH:30][cH:31]2)[C:32]([NH2:33])=[O:34])[CH2:35][CH2:36]1 QOQXNIUJSFOAJO-VWLOTQADSA-N>>SYXJQXRFBDLPDJ-MHZLTWQESA-N 0.0 Unrecognized False stereospecific False [#7:1]-[C@@;H0;D4;+0:2](-[C:3])(-[OH;D1;+0:7])-[C:4](-[NH2;D1;+0:6])=[O;D1;H0:5]>>[#7:1]-[C@@H;D3;+0:2](-[C:3])-[C:4](=[O;D1;H0:5])-[NH;D2;+0:6]-[OH;D1;+0:7] 087ad945abded10b94f2f1ad743d083bf712e2d169b263cbda58f9babefd9b30 O[C@@H:2]([CH3:1])[C@H:3]([CH2:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[O:12][Si:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[CH3:19].[nH:20]1[cH:21][n:22][c:23]2[c:24]([Cl:25])[n:26][cH:27][n:28][c:29]12>C1CCOC1.CC(C)OC(=O)N=NC(=O)OC(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][C@H:2]([C@H:3]([CH2:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[O:12][Si:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[CH3:19])[n:20]1[cH:21][n:22][c:23]2[c:24]([Cl:25])[n:26][cH:27][n:28][c:29]12 NGGMFYIGEZZDMX-HOCLYGCPSA-N.ZKBQDFAWXLTYKS-UHFFFAOYSA-N>>MPAYZPIEXPVSSS-AEFFLSMTSA-N 0.0 Unrecognized False stereospecific False [#7;a:12]:[c:13]1:[c:14]:[#7;a:15]:[c:16]:[n;H0;D3;+0:17]:1-[C@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[#8:4]-[#14:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11]>>O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[#8:4]-[#14:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[#7;a:12]:[c:13]1:[c:14]:[#7;a:15]:[c:16]:[nH;D2;+0:17]:1 670e6e2e3db5dcb964fdd938698414045356bdc9ccc8640c754192576fa79845 O[C@@H:7]([CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])[C@H:8]([CH3:9])[O:10][Si:11]([CH3:12])([CH3:13])[C:14]([CH3:15])([CH3:16])[CH3:17].[nH:18]1[cH:19][n:20][c:21]2[c:22]([Cl:23])[n:24][cH:25][n:26][c:27]12>C1CCOC1.CC(C)OC(=O)N=NC(=O)OC(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C@H:7]([C@H:8]([CH3:9])[O:10][Si:11]([CH3:12])([CH3:13])[C:14]([CH3:15])([CH3:16])[CH3:17])[n:18]1[cH:19][n:20][c:21]2[c:22]([Cl:23])[n:24][cH:25][n:26][c:27]12 MPCIDGRXNDEYNC-KBPBESRZSA-N.ZKBQDFAWXLTYKS-UHFFFAOYSA-N>>BBRYJMHLOYAXID-JKSUJKDBSA-N 0.0 Unrecognized False stereospecific False [#7;a:12]:[c:13]1:[c:14]:[#7;a:15]:[c:16]:[n;H0;D3;+0:17]:1-[C@H;D3;+0:1](-[C:2])-[C:3]-[#8:4]-[#14:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11]>>O-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#8:4]-[#14:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[#7;a:12]:[c:13]1:[c:14]:[#7;a:15]:[c:16]:[nH;D2;+0:17]:1 670e6e2e3db5dcb964fdd938698414045356bdc9ccc8640c754192576fa79845 O[C@H:16]([C@H:7]([CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][CH3:1])[O:8][Si:9]([CH3:10])([CH3:11])[C:12]([CH3:13])([CH3:14])[CH3:15])[CH3:17].[nH:18]1[cH:19][n:20][c:21]2[c:22]([Cl:23])[n:24][cH:25][n:26][c:27]12>C1CCOC1.CC(C)OC(=O)N=NC(=O)OC(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C@H:7]([O:8][Si:9]([CH3:10])([CH3:11])[C:12]([CH3:13])([CH3:14])[CH3:15])[C@@H:16]([CH3:17])[n:18]1[cH:19][n:20][c:21]2[c:22]([Cl:23])[n:24][cH:25][n:26][c:27]12 FWGZOWFAXWOCRR-KBPBESRZSA-N.ZKBQDFAWXLTYKS-UHFFFAOYSA-N>>RFLIJWFRKSZUKF-CVEARBPZSA-N 0.0 Unrecognized False stereospecific False [#7;a:12]:[c:13]1:[c:14]:[#7;a:15]:[c:16]:[n;H0;D3;+0:17]:1-[C@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[#8:4]-[#14:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11]>>O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[C:3]-[#8:4]-[#14:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C:8](-[C;D1;H3:9])(-[C;D1;H3:10])-[C;D1;H3:11].[#7;a:12]:[c:13]1:[c:14]:[#7;a:15]:[c:16]:[nH;D2;+0:17]:1 670e6e2e3db5dcb964fdd938698414045356bdc9ccc8640c754192576fa79845 CC(C)C[C@H:8]1[CH2:7][NH:6][C@@H:5]([CH2:4][CH:2]([CH3:1])[CH3:3])[C:17](=[O:18])[NH:16]1.N[C@H](C(=O)O)[c:9]1[cH:10][cH:11][c:12]([F:13])[cH:14][cH:15]1>COC(=O)[C@@H](N)CC(C)C>[CH3:1][CH:2]([CH3:3])[CH2:4][C@@H:5]1[NH:6][CH2:7][C@H:8]([c:9]2[cH:10][cH:11][c:12]([F:13])[cH:14][cH:15]2)[NH:16][C:17]1=[O:18] JKFYKCYQEWQPTM-ZETCQYMHSA-N.NEPMCRUSVKJAGM-QWRGUYRKSA-N>>OMDASHFCFCFQIW-QWHCGFSZSA-N 0.0 Unrecognized False stereospecific False [O;D1;H0:4]=[C:3]1-[#7:2]-[C@@H;D3;+0:1](-[c;H0;D3;+0:8]2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2)-[C:7]-[#7:6]-[C:5]-1>>C-C(-C)-C-[C@@H;D3;+0:1]1-[#7:2]-[C:3](=[O;D1;H0:4])-[C:5]-[#7:6]-[C:7]-1.N-[C@H](-C(-O)=O)-[c;H0;D3;+0:8]1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1 b30b810ac23d024e36ff7ac70ed07dcf920189a3462f7ea717c1c454e37bf7cf CC(C)C[C@H:8]1[CH2:7][NH:6][C@@H:5]([CH2:4][CH:2]([CH3:1])[CH3:3])[C:17](=[O:18])[NH:16]1.N[C@H](C(=O)O)[c:9]1[c:10]([Cl:11])[cH:12][cH:13][cH:14][cH:15]1>COC(=O)[C@@H](N)CC(C)C>[CH3:1][CH:2]([CH3:3])[CH2:4][C@@H:5]1[NH:6][CH2:7][C@H:8]([c:9]2[c:10]([Cl:11])[cH:12][cH:13][cH:14][cH:15]2)[NH:16][C:17]1=[O:18] LMIZLNPFTRQPSF-ZETCQYMHSA-N.NEPMCRUSVKJAGM-QWRGUYRKSA-N>>LGYLGRDMPJBNFN-QWHCGFSZSA-N 0.0 Unrecognized False stereospecific False [O;D1;H0:4]=[C:3]1-[#7:2]-[C@@H;D3;+0:1](-[c;H0;D3;+0:8]2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2)-[C:7]-[#7:6]-[C:5]-1>>C-C(-C)-C-[C@@H;D3;+0:1]1-[#7:2]-[C:3](=[O;D1;H0:4])-[C:5]-[#7:6]-[C:7]-1.N-[C@H](-C(-O)=O)-[c;H0;D3;+0:8]1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1 b30b810ac23d024e36ff7ac70ed07dcf920189a3462f7ea717c1c454e37bf7cf CC(C)C[C@H:8]1[CH2:7][NH:6][C@@H:5]([CH2:4][CH:2]([CH3:1])[CH3:3])[C:20](=[O:21])[NH:19]1.N[C@H](C(=O)O)[c:9]1[cH:10][cH:11][c:12]([C:13]([F:14])([F:15])[F:16])[cH:17][cH:18]1>COC(=O)[C@@H](N)CC(C)C>[CH3:1][CH:2]([CH3:3])[CH2:4][C@@H:5]1[NH:6][CH2:7][C@H:8]([c:9]2[cH:10][cH:11][c:12]([C:13]([F:14])([F:15])[F:16])[cH:17][cH:18]2)[NH:19][C:20]1=[O:21] FANMQHUKZBBELZ-ZETCQYMHSA-N.NEPMCRUSVKJAGM-QWRGUYRKSA-N>>XOZSKZDQIGTRAL-QWHCGFSZSA-N 0.0 Unrecognized False stereospecific False [O;D1;H0:4]=[C:3]1-[#7:2]-[C@@H;D3;+0:1](-[c;H0;D3;+0:8]2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2)-[C:7]-[#7:6]-[C:5]-1>>C-C(-C)-C-[C@@H;D3;+0:1]1-[#7:2]-[C:3](=[O;D1;H0:4])-[C:5]-[#7:6]-[C:7]-1.N-[C@H](-C(-O)=O)-[c;H0;D3;+0:8]1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1 b30b810ac23d024e36ff7ac70ed07dcf920189a3462f7ea717c1c454e37bf7cf CC(C)C[C@H:8]1[CH2:7][NH:6][C@@H:5]([CH2:4][CH:2]([CH3:1])[CH3:3])[C:17](=[O:18])[NH:16]1.N[C@H](C(=O)O)[c:9]1[cH:10][c:11]([F:12])[cH:13][cH:14][cH:15]1>COC(=O)[C@@H](N)CC(C)C>[CH3:1][CH:2]([CH3:3])[CH2:4][C@@H:5]1[NH:6][CH2:7][C@H:8]([c:9]2[cH:10][c:11]([F:12])[cH:13][cH:14][cH:15]2)[NH:16][C:17]1=[O:18] LVYBCZIDQKJNFP-ZETCQYMHSA-N.NEPMCRUSVKJAGM-QWRGUYRKSA-N>>LFRBABKODRWABT-QWHCGFSZSA-N 0.0 Unrecognized False stereospecific False [O;D1;H0:4]=[C:3]1-[#7:2]-[C@@H;D3;+0:1](-[c;H0;D3;+0:8]2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2)-[C:7]-[#7:6]-[C:5]-1>>C-C(-C)-C-[C@@H;D3;+0:1]1-[#7:2]-[C:3](=[O;D1;H0:4])-[C:5]-[#7:6]-[C:7]-1.N-[C@H](-C(-O)=O)-[c;H0;D3;+0:8]1:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:1 b30b810ac23d024e36ff7ac70ed07dcf920189a3462f7ea717c1c454e37bf7cf [CH3:1][C:2](=[O:3])[O:4][C@@H:5]1[CH2:6][CH2:7][C@@:8]2([CH3:9])[C:10](=[CH:11][C:12](=[O:13])[C@H:14]3[C@@H:15]4[CH2:16][CH2:17][C:18]5([O:19][CH2:20][CH2:21][O:22]5)[C@@:23]4([CH3:24])[CH2:25][CH2:26][C@H:27]23)[CH2:28]1>C1CCOC1.CC(C)=O.CO.O.B.[Na+]>[CH3:1][C:2](=[O:3])[O:4][C@@H:5]1[CH2:6][CH2:7][C@@:8]2([CH3:9])[C:10](=[CH:11][C@H:12]([OH:13])[C@H:14]3[C@@H:15]4[CH2:16][CH2:17][C:18]5([O:19][CH2:20][CH2:21][O:22]5)[C@@:23]4([CH3:24])[CH2:25][CH2:26][C@H:27]23)[CH2:28]1 GHCLNFOHZRQQDJ-NWUMPJBXSA-N>>DZNZBPJJMMHMHS-JASYKLOUSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[C:1]=[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 30b58d787d9916ad48be3323fde35e4d1c60b573ffde717577d2f36c035f619a O=[N+:7]([O-])[c:6]1[c:5]([C:4]2=[CH:12][C@@H:13]([OH:14])[C@@:15]([OH:16])([CH2:17][F:18])[C@@H:2]([CH3:1])[CH2:3]2)[cH:11][cH:10][n:9][cH:8]1>CO.[Pd]>[CH3:1][C@H:2]1[CH2:3][C@@H:4]([c:5]2[c:6]([NH2:7])[cH:8][n:9][cH:10][cH:11]2)[CH2:12][C@@H:13]([OH:14])[C@@:15]1([OH:16])[CH2:17][F:18] KBSXPRWDJDRMOE-ZEGGKSINSA-N>>OMINRMHRTCBWRU-HIAZDOBYSA-N 0.0 Unrecognized False substrate controlled False [#7;a:9]:[c:8]:[c:2](-[NH2;D1;+0:1]):[c:3]-[C@@H;D3;+0:4](-[C:5])-[CH2;D2;+0:6]-[C:7]>>O=[N+;H0;D3:1](-[O-])-[c:2](:[c:3]-[C;H0;D3;+0:4](-[C:5])=[CH;D2;+0:6]-[C:7]):[c:8]:[#7;a:9] 94b83ae74dcd5f98e39d0ca71a8089308ccfeeb1e893493393e6ba675c234765 Br[Mg][CH2:2][CH3:1].[C:3]1(=[O:4])[CH2:5][CH2:6][C@@:7]2([CH2:8][c:9]3[cH:10][cH:11][cH:12][cH:13][cH:14]3)[c:15]3[c:16]([cH:21][c:22]([C:23](=[O:24])[O:25][CH3:26])[cH:27][cH:28]3)[CH:17]=[CH:18][C@H:19]2[CH2:20]1>C1CCOC1.CO>[CH3:1][CH2:2][C@@:3]1([OH:4])[CH2:5][CH2:6][C@@:7]2([CH2:8][c:9]3[cH:10][cH:11][cH:12][cH:13][cH:14]3)[c:15]3[c:16]([cH:21][c:22]([C:23](=[O:24])[O:25][CH3:26])[cH:27][cH:28]3)[CH:17]=[CH:18][C@H:19]2[CH2:20]1 BXBRICBXZIRYCJ-CVDCTZTESA-N.TWTWFMUQSOFTRN-UHFFFAOYSA-M>>IGXFZXKZFOINBH-GPUOULLFSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@@;H0;D4;+0:4](-[C:5])(-[OH;D1;+0:6])-[CH2;D2;+0:1]-[C;D1;H3:2]>>Br-[Mg]-[CH2;D2;+0:1]-[C;D1;H3:2].[C:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 3f325f105fe9dfc88d1824467a59179d833683f512ab7f0e7e2eb7e9d0c88218 [O:1]=[C:2]([O:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[N:11]1[CH2:12][CH2:13][C:14]2([CH2:15][CH2:16]1)[CH2:17][C:18](=[O:19])[c:20]1[cH:21][cH:22][cH:23][cH:24][c:25]1[O:26]2>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CC(C)O.CO.ClCCl.O=C=O>[O:1]=[C:2]([O:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[N:11]1[CH2:12][CH2:13][C:14]2([CH2:15][CH2:16]1)[CH2:17][C@@H:18]([OH:19])[c:20]1[cH:21][cH:22][cH:23][cH:24][c:25]1[O:26]2 AOOOWMISCJTQSP-UHFFFAOYSA-N>>OREDLNHQNKZNKN-GOSISDBHSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C:2]1(-[C:3])-[#8:4]-[c:5]:[c:6]-[C@H;D3;+0:7](-[OH;D1;+0:8])-[C:9]-1>>[C:1]-[C:2]1(-[C:3])-[#8:4]-[c:5]:[c:6]-[C;H0;D3;+0:7](=[O;H0;D1;+0:8])-[C:9]-1 df9e0b98058cf70d625d318d01fa954f1e694c1f000d36343e5c355e50cc3874 [O:1]=[C:2]([O:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[N:11]1[CH2:12][CH2:13][C:14]2([CH2:15][CH2:16]1)[CH2:17][C:18](=[O:19])[c:20]1[cH:21][cH:22][cH:23][cH:24][c:25]1[O:26]2>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CC(C)O.CO.ClCCl.O=C=O>[O:1]=[C:2]([O:3][CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[N:11]1[CH2:12][CH2:13][C:14]2([CH2:15][CH2:16]1)[CH2:17][C@@H:18]([OH:19])[c:20]1[cH:21][cH:22][cH:23][cH:24][c:25]1[O:26]2 AOOOWMISCJTQSP-UHFFFAOYSA-N>>OREDLNHQNKZNKN-GOSISDBHSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C:2]1(-[C:3])-[#8:4]-[c:5]:[c:6]-[C@@H;D3;+0:7](-[OH;D1;+0:8])-[C:9]-1>>[C:1]-[C:2]1(-[C:3])-[#8:4]-[c:5]:[c:6]-[C;H0;D3;+0:7](=[O;H0;D1;+0:8])-[C:9]-1 c57436e477038ece1af5eb6652d120ac718830c7540f44fc1045692fec56ece1 N=C(O[C@H:8]1[O:7][C@H:6]([CH2:5][O:4][C:2]([CH3:1])=[O:3])[C@@H:28]([O:29][C:30]([CH3:31])=[O:32])[C@H:23]([O:24][C:25]([CH3:26])=[O:27])[C@@H:18]1[O:19][C:20]([CH3:21])=[O:22])C(Cl)(Cl)Cl.[OH:9][c:10]1[cH:11][c:12]([Cl:13])[c:14]([Br:15])[cH:16][cH:17]1>CC(=O)OC[C@H]1O[C@H](Oc2ccc(Br)cc2Cl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.C[Si](C)(C)OS(=O)(=O)C(F)(F)F.Cc1ccccc1>[CH3:1][C:2](=[O:3])[O:4][CH2:5][C@H:6]1[O:7][C@H:8]([O:9][c:10]2[cH:11][c:12]([Cl:13])[c:14]([Br:15])[cH:16][cH:17]2)[C@@H:18]([O:19][C:20]([CH3:21])=[O:22])[C@@H:23]([O:24][C:25]([CH3:26])=[O:27])[C@@H:28]1[O:29][C:30]([CH3:31])=[O:32] FQEYHIPPYOSPLF-UHFFFAOYSA-N.IBUZGVQIKARDAF-PEBLQZBPSA-N>>FCCHKHLFCMIECD-SLHNCBLASA-N 0.0 Unrecognized False stereospecific False [C:6]-[#8:5]-[C:4]-[C:3]1-[#8:2]-[C@H;D3;+0:1](-[O;H0;D2;+0:20]-[c:21])-[C:15](-[#8:16]-[C:17](-[C;D1;H3:18])=[O;D1;H0:19])-[C:10](-[#8:11]-[C:12](-[C;D1;H3:13])=[O;D1;H0:14])-[C:7]-1-[#8:8]-[C:9]>>Cl-C(-Cl)(-Cl)-C(=N)-O-[C@H;D3;+0:1]1-[#8:2]-[C:3](-[C:4]-[#8:5]-[C:6])-[C:7](-[#8:8]-[C:9])-[C:10](-[#8:11]-[C:12](-[C;D1;H3:13])=[O;D1;H0:14])-[C:15]-1-[#8:16]-[C:17](-[C;D1;H3:18])=[O;D1;H0:19].[OH;D1;+0:20]-[c:21] 355a80ae5db73d21ee0dd4ec64c12a01c853fae12861dfd6fde037e2419f3d7a N=C(O[C@H:8]1[O:7][C@H:6]([CH2:5][O:4][C:2]([CH3:1])=[O:3])[C@@H:29]([O:30][C:31]([CH3:32])=[O:33])[C@H:24]([O:25][C:26]([CH3:27])=[O:28])[C@@H:19]1[O:20][C:21]([CH3:22])=[O:23])C(Cl)(Cl)Cl.[OH:9][c:10]1[c:11]([Cl:12])[cH:13][c:14]([Br:15])[cH:16][c:17]1[Cl:18]>CC(=O)OC[C@H]1O[C@H](Oc2ccc(Br)cc2Cl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.C[Si](C)(C)OS(=O)(=O)C(F)(F)F.Cc1ccccc1>[CH3:1][C:2](=[O:3])[O:4][CH2:5][C@H:6]1[O:7][C@H:8]([O:9][c:10]2[c:11]([Cl:12])[cH:13][c:14]([Br:15])[cH:16][c:17]2[Cl:18])[C@@H:19]([O:20][C:21]([CH3:22])=[O:23])[C@@H:24]([O:25][C:26]([CH3:27])=[O:28])[C@@H:29]1[O:30][C:31]([CH3:32])=[O:33] IBUZGVQIKARDAF-PEBLQZBPSA-N.KGURSDWHGSLAPP-UHFFFAOYSA-N>>YHZDYPAIMIEZAJ-LFZDHENXSA-N 0.0 Unrecognized False stereospecific False [C:6]-[#8:5]-[C:4]-[C:3]1-[#8:2]-[C@H;D3;+0:1](-[O;H0;D2;+0:20]-[c:21])-[C:15](-[#8:16]-[C:17](-[C;D1;H3:18])=[O;D1;H0:19])-[C:10](-[#8:11]-[C:12](-[C;D1;H3:13])=[O;D1;H0:14])-[C:7]-1-[#8:8]-[C:9]>>Cl-C(-Cl)(-Cl)-C(=N)-O-[C@H;D3;+0:1]1-[#8:2]-[C:3](-[C:4]-[#8:5]-[C:6])-[C:7](-[#8:8]-[C:9])-[C:10](-[#8:11]-[C:12](-[C;D1;H3:13])=[O;D1;H0:14])-[C:15]-1-[#8:16]-[C:17](-[C;D1;H3:18])=[O;D1;H0:19].[OH;D1;+0:20]-[c:21] 355a80ae5db73d21ee0dd4ec64c12a01c853fae12861dfd6fde037e2419f3d7a N=C(O[C@H:8]1[O:7][C@H:6]([CH2:5][O:4][C:2]([CH3:1])=[O:3])[C@@H:29]([O:30][C:31]([CH3:32])=[O:33])[C@H:24]([O:25][C:26]([CH3:27])=[O:28])[C@@H:19]1[O:20][C:21]([CH3:22])=[O:23])C(Cl)(Cl)Cl.[OH:9][c:10]1[cH:11][c:12]([Cl:13])[c:14]([Br:15])[c:16]([Cl:17])[cH:18]1>CC(=O)OC[C@H]1O[C@H](Oc2ccc(Br)cc2Cl)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O.C[Si](C)(C)OS(=O)(=O)C(F)(F)F.Cc1ccccc1>[CH3:1][C:2](=[O:3])[O:4][CH2:5][C@H:6]1[O:7][C@H:8]([O:9][c:10]2[cH:11][c:12]([Cl:13])[c:14]([Br:15])[c:16]([Cl:17])[cH:18]2)[C@@H:19]([O:20][C:21]([CH3:22])=[O:23])[C@@H:24]([O:25][C:26]([CH3:27])=[O:28])[C@@H:29]1[O:30][C:31]([CH3:32])=[O:33] IBUZGVQIKARDAF-PEBLQZBPSA-N.WESPEUKZHWMEIQ-UHFFFAOYSA-N>>DVBXWLYAXNFEQM-LGKHCZOZSA-N 0.0 Unrecognized False stereospecific False [C:6]-[#8:5]-[C:4]-[C:3]1-[#8:2]-[C@H;D3;+0:1](-[O;H0;D2;+0:20]-[c:21])-[C:15](-[#8:16]-[C:17](-[C;D1;H3:18])=[O;D1;H0:19])-[C:10](-[#8:11]-[C:12](-[C;D1;H3:13])=[O;D1;H0:14])-[C:7]-1-[#8:8]-[C:9]>>Cl-C(-Cl)(-Cl)-C(=N)-O-[C@H;D3;+0:1]1-[#8:2]-[C:3](-[C:4]-[#8:5]-[C:6])-[C:7](-[#8:8]-[C:9])-[C:10](-[#8:11]-[C:12](-[C;D1;H3:13])=[O;D1;H0:14])-[C:15]-1-[#8:16]-[C:17](-[C;D1;H3:18])=[O;D1;H0:19].[OH;D1;+0:20]-[c:21] 355a80ae5db73d21ee0dd4ec64c12a01c853fae12861dfd6fde037e2419f3d7a [CH3:1][C@:2]12[CH2:3][CH2:4][CH:5]3[CH:6]([CH2:7][CH2:8][C:9]4=[CH:10][C:11](=[O:12])[CH2:13][CH2:14][C@:15]34[CH3:16])[CH:17]1[CH2:18][CH:19]=[C:20]2[n:21]1[cH:22][n:23][c:24]2[c:25]1[cH:26][cH:27][cH:28][cH:29]2>CCOC(C)=O.CO.O.O.O.O.O.O.O.O.B.[Ce+3].Cl.Cl.Cl.[Na+]>[CH3:1][C@:2]12[CH2:3][CH2:4][CH:5]3[CH:6]([CH2:7][CH2:8][C:9]4=[CH:10][C@@H:11]([OH:12])[CH2:13][CH2:14][C@:15]34[CH3:16])[CH:17]1[CH2:18][CH:19]=[C:20]2[n:21]1[cH:22][n:23][c:24]2[c:25]1[cH:26][cH:27][cH:28][cH:29]2 JPMBLPVHJHQFHR-OSTLVTSRSA-N>>HRQSHPFFSCYRBC-BLYLLKCRSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]=[C:5]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]=[C:5] 30b58d787d9916ad48be3323fde35e4d1c60b573ffde717577d2f36c035f619a [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]1[CH2:10][CH2:11][C:12](=[O:13])[CH2:14][C@H:15]1[c:16]1[cH:17][cH:18][c:19]([C:20]([F:21])([F:22])[F:23])[cH:24][cH:25]1>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.[Li+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]1[CH2:10][CH2:11][C@H:12]([OH:13])[CH2:14][C@H:15]1[c:16]1[cH:17][cH:18][c:19]([C:20]([F:21])([F:22])[F:23])[cH:24][cH:25]1 RHWRMDGLOSRUCG-LSDHHAIUSA-N>>SHECNUXSCGIJNI-SOUVJXGZSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 O[C@H:15]1[CH2:16][CH2:17][c:18]2[c:19]([Br:20])[cH:21][cH:22][cH:23][c:24]21.[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([OH:14])[cH:25]2>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:14][C@@H:15]1[CH2:16][CH2:17][c:18]3[c:19]([Br:20])[cH:21][cH:22][cH:23][c:24]31)[cH:25]2 RHMDISFJOKCCAQ-UHFFFAOYSA-N.RNXQQZNOSYBFTN-VIFPVBQESA-N>>CRRAWKKEQWXYHP-VMHBGOFLSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de O[C@H:15]1[CH2:16][CH2:17][c:18]2[c:19]([O:20][CH:21]([F:22])[F:23])[cH:24][cH:25][cH:26][c:27]21.[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([OH:14])[cH:28]2>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:14][C@@H:15]1[CH2:16][CH2:17][c:18]3[c:19]([O:20][CH:21]([F:22])[F:23])[cH:24][cH:25][cH:26][c:27]31)[cH:28]2 RHMDISFJOKCCAQ-SSDOTTSWSA-N.WEEDYGRCSMXCDO-QMMMGPOBSA-N>>KQYSZQBQWKTVGE-KZULUSFZSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de O[C@H:15]1[CH2:16][CH2:17][c:18]2[cH:19][cH:20][c:21]([C:22]([F:23])([F:24])[F:25])[cH:26][c:27]21.[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([OH:14])[cH:28]2>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:14][C@@H:15]1[CH2:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([C:22]([F:23])([F:24])[F:25])[cH:26][c:27]31)[cH:28]2 JAICRPHZHDNVQL-VIFPVBQESA-N.RHMDISFJOKCCAQ-SSDOTTSWSA-N>>JCTSMAOMLOEEET-FZKQIMNGSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de O[C@H:15]1[CH2:16][CH2:17][c:18]2[cH:19][c:20]([C:21]([F:22])([F:23])[F:24])[cH:25][cH:26][c:27]21.[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([OH:14])[cH:28]2>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:14][C@@H:15]1[CH2:16][CH2:17][c:18]3[cH:19][c:20]([C:21]([F:22])([F:23])[F:24])[cH:25][cH:26][c:27]31)[cH:28]2 FLQUVMBVTFSJRY-VIFPVBQESA-N.RHMDISFJOKCCAQ-SSDOTTSWSA-N>>FRGOYGLTTOEPIP-FZKQIMNGSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de O[C@H:15]1[CH2:16][CH2:17][c:18]2[cH:19][c:20]([Cl:21])[cH:22][cH:23][c:24]21.[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([OH:14])[cH:25]2>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:14][C@@H:15]1[CH2:16][CH2:17][c:18]3[cH:19][c:20]([Cl:21])[cH:22][cH:23][c:24]31)[cH:25]2 RHMDISFJOKCCAQ-SSDOTTSWSA-N.WDXUNFVYUDYDQA-VIFPVBQESA-N>>FHQOPBXDKDDFEH-FZKQIMNGSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de O[C@H:15]1[CH2:16][CH2:17][c:18]2[c:19]([Cl:20])[cH:21][cH:22][cH:23][c:24]21.[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([OH:14])[cH:25]2>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:14][C@@H:15]1[CH2:16][CH2:17][c:18]3[c:19]([Cl:20])[cH:21][cH:22][cH:23][c:24]31)[cH:25]2 IDHGYOQGMVANDO-VIFPVBQESA-N.RHMDISFJOKCCAQ-SSDOTTSWSA-N>>PEIUIFQXXUSQET-KZULUSFZSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de O[C@H:15]1[CH2:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][c:22]([C:23]([F:24])([F:25])[F:26])[c:27]21.[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([OH:14])[cH:28]2>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:14][C@@H:15]1[CH2:16][CH2:17][c:18]3[cH:19][cH:20][cH:21][c:22]([C:23]([F:24])([F:25])[F:26])[c:27]31)[cH:28]2 MDXMTZYIFQCSHB-QMMMGPOBSA-N.RHMDISFJOKCCAQ-SSDOTTSWSA-N>>SUYFGCQOXWMPBO-CXAGYDPISA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de O[C@H:15]1[CH2:16][CH2:17][c:18]2[c:19]([C:20]([F:21])([F:22])[F:23])[cH:24][cH:25][c:26]([F:27])[c:28]21.[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([OH:14])[cH:29]2>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:14][C@@H:15]1[CH2:16][CH2:17][c:18]3[c:19]([C:20]([F:21])([F:22])[F:23])[cH:24][cH:25][c:26]([F:27])[c:28]31)[cH:29]2 RHMDISFJOKCCAQ-SSDOTTSWSA-N.WTFIVWOOPIQVJR-QMMMGPOBSA-N>>SSKAGAMLPGIWSJ-PIGZYNQJSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de O[C@H:15]1[CH2:16][CH2:17][c:18]2[c:19]([O:20][C:21]([F:22])([F:23])[F:24])[cH:25][cH:26][cH:27][c:28]21.[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([OH:14])[cH:29]2>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:14][C@@H:15]1[CH2:16][CH2:17][c:18]3[c:19]([O:20][C:21]([F:22])([F:23])[F:24])[cH:25][cH:26][cH:27][c:28]31)[cH:29]2 RHMDISFJOKCCAQ-SSDOTTSWSA-N.VSIKRNKEFUIRSW-QMMMGPOBSA-N>>QHXIDCSVONJMTJ-SJKOYZFVSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de O[C@H:15]1[CH2:16][CH2:17][c:18]2[c:19]([CH:20]3[CH2:21][CH2:22]3)[cH:23][cH:24][cH:25][c:26]21.[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([OH:14])[cH:27]2>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:14][C@@H:15]1[CH2:16][CH2:17][c:18]3[c:19]([CH:20]4[CH2:21][CH2:22]4)[cH:23][cH:24][cH:25][c:26]31)[cH:27]2 IGMZTSAXNSAYIY-LBPRGKRZSA-N.RHMDISFJOKCCAQ-SSDOTTSWSA-N>>QSLGRKPWBHNNPI-QVKFZJNVSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de O[C@H:15]1[CH2:16][CH2:17][c:18]2[c:19]([F:20])[c:21]([F:22])[cH:23][cH:24][c:25]21.[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([OH:14])[cH:26]2>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:14][C@@H:15]1[CH2:16][CH2:17][c:18]3[c:19]([F:20])[c:21]([F:22])[cH:23][cH:24][c:25]31)[cH:26]2 OLXLGPHHILUIOV-QMMMGPOBSA-N.RHMDISFJOKCCAQ-SSDOTTSWSA-N>>MGJTUBPXFHLDOQ-PIGZYNQJSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de O[C@H:15]1[CH2:16][CH2:17][c:18]2[c:19]([Cl:20])[c:21]([F:22])[cH:23][cH:24][c:25]21.[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([OH:14])[cH:26]2>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:14][C@@H:15]1[CH2:16][CH2:17][c:18]3[c:19]([Cl:20])[c:21]([F:22])[cH:23][cH:24][c:25]31)[cH:26]2 NHWBXNAYAQMYAO-QMMMGPOBSA-N.RHMDISFJOKCCAQ-SSDOTTSWSA-N>>UELOMSRNIWRWJJ-PIGZYNQJSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de O[C@H:15]1[CH2:16][CH2:17][c:18]2[c:19]([C:20]#[N:21])[cH:22][cH:23][cH:24][c:25]21.[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([OH:14])[cH:26]2>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:14][C@@H:15]1[CH2:16][CH2:17][c:18]3[c:19]([C:20]#[N:21])[cH:22][cH:23][cH:24][c:25]31)[cH:26]2 MEFZMTYUOQFQHF-JTQLQIEISA-N.RHMDISFJOKCCAQ-SSDOTTSWSA-N>>IUWYILPOVJHXNP-AUUYWEPGSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de O[C@@H:15]1[CH2:16][CH2:17][c:18]2[cH:19][cH:20][c:21]([C:22]([F:23])([F:24])[F:25])[cH:26][c:27]21.[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([OH:14])[cH:28]2>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:14][C@H:15]1[CH2:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([C:22]([F:23])([F:24])[F:25])[cH:26][c:27]31)[cH:28]2 JAICRPHZHDNVQL-SECBINFHSA-N.RHMDISFJOKCCAQ-SSDOTTSWSA-N>>JCTSMAOMLOEEET-ACJLOTCBSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] b51aa84223ac8987c903416d7d295e7a36e10e901104df238d8ffd71135ac882 O[C@@H:15]1[CH2:16][CH2:17][c:18]2[cH:19][cH:20][c:21]([Br:22])[cH:23][c:24]21.[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([OH:14])[cH:25]2>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:14][C@H:15]1[CH2:16][CH2:17][c:18]3[cH:19][cH:20][c:21]([Br:22])[cH:23][c:24]31)[cH:25]2 DXVPKKRFBPLRRN-SECBINFHSA-N.RHMDISFJOKCCAQ-SSDOTTSWSA-N>>BQGLBAUIXKRBHU-ACJLOTCBSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] b51aa84223ac8987c903416d7d295e7a36e10e901104df238d8ffd71135ac882 O[C@H:15]1[CH2:16][CH2:17][c:18]2[cH:19][c:20](-[c:21]3[c:22]([CH:23]([CH3:24])[CH3:25])[cH:26][cH:27][cH:28][cH:29]3)[cH:30][cH:31][c:32]21.[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([OH:14])[cH:33]2>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:14][C@@H:15]1[CH2:16][CH2:17][c:18]3[cH:19][c:20](-[c:21]4[c:22]([CH:23]([CH3:24])[CH3:25])[cH:26][cH:27][cH:28][cH:29]4)[cH:30][cH:31][c:32]31)[cH:33]2 RHMDISFJOKCCAQ-SSDOTTSWSA-N.UHDKXJWJRAKXFV-SFHVURJKSA-N>>QDYISHXDIGJWKR-JIPXPUAJSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de O[C@H:15]1[CH2:16][CH2:17][c:18]2[c:19]([N:20]3[CH2:21][CH2:22][O:23][CH2:24][CH2:25]3)[cH:26][cH:27][cH:28][c:29]21.[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([OH:14])[cH:30]2>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:14][C@@H:15]1[CH2:16][CH2:17][c:18]3[c:19]([N:20]4[CH2:21][CH2:22][O:23][CH2:24][CH2:25]4)[cH:26][cH:27][cH:28][c:29]31)[cH:30]2 JAWQVIMTFOFMOH-ZDUSSCGKSA-N.RHMDISFJOKCCAQ-SSDOTTSWSA-N>>QDALYNIRMWDRHQ-OPAMFIHVSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de O[C@H:15]1[CH2:16][CH2:17][c:18]2[c:19]([Cl:20])[c:21]([C:22]([F:23])([F:24])[F:25])[cH:26][cH:27][c:28]21.[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([OH:14])[cH:29]2>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:14][C@@H:15]1[CH2:16][CH2:17][c:18]3[c:19]([Cl:20])[c:21]([C:22]([F:23])([F:24])[F:25])[cH:26][cH:27][c:28]31)[cH:29]2 MRLLVDQCTSLHRK-QMMMGPOBSA-N.RHMDISFJOKCCAQ-SSDOTTSWSA-N>>BSWUDMRJVNACCX-PIGZYNQJSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de O[C@H:15]1[CH2:16][CH2:17][c:18]2[c:19]([C:20]([F:21])([F:22])[C:23]([F:24])([F:25])[F:26])[cH:27][cH:28][cH:29][c:30]21.[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([OH:14])[cH:31]2>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:14][C@@H:15]1[CH2:16][CH2:17][c:18]3[c:19]([C:20]([F:21])([F:22])[C:23]([F:24])([F:25])[F:26])[cH:27][cH:28][cH:29][c:30]31)[cH:31]2 RHMDISFJOKCCAQ-SSDOTTSWSA-N.XYANGZGKLJBDRT-VIFPVBQESA-N>>JQQSDACTVXYEJC-KZULUSFZSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de O[C@H:15]1[CH2:16][CH2:17][c:18]2[c:19]([C:20]([F:21])([F:22])[F:23])[cH:24][cH:25][cH:26][c:27]21.[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([OH:14])[c:28]2[CH3:29]>C1CCOC1.CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:14][C@@H:15]1[CH2:16][CH2:17][c:18]3[c:19]([C:20]([F:21])([F:22])[F:23])[cH:24][cH:25][cH:26][c:27]31)[c:28]2[CH3:29] FKZUEBXQSDTDOB-UHFFFAOYSA-N.WYRONQVMJMJUKG-VIFPVBQESA-N>>FNIUKCXRZUXOOL-GAGCMDECSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de O[C@H:16]1[CH2:17][CH2:18][c:19]2[c:20]([C:21]([F:22])([F:23])[F:24])[cH:25][cH:26][cH:27][c:28]21.[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH:6]1[CH2:7][O:8][c:9]2[c:10]1[c:11]([CH3:12])[cH:13][c:14]([OH:15])[cH:29]2>C1CCOC1.CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH:6]1[CH2:7][O:8][c:9]2[c:10]1[c:11]([CH3:12])[cH:13][c:14]([O:15][C@@H:16]1[CH2:17][CH2:18][c:19]3[c:20]([C:21]([F:22])([F:23])[F:24])[cH:25][cH:26][cH:27][c:28]31)[cH:29]2 RQAGNYUIPZCXGO-UHFFFAOYSA-N.WYRONQVMJMJUKG-VIFPVBQESA-N>>YIUOCQPOZMVXRX-PQJIZZRHSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de O[C@H:16]1[CH2:17][CH2:18][c:19]2[c:20]([C:21]([F:22])([F:23])[F:24])[cH:25][cH:26][cH:27][c:28]21.[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][c:12]([CH3:13])[c:14]([OH:15])[cH:29]2>C1CCOC1.CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][c:12]([CH3:13])[c:14]([O:15][C@@H:16]1[CH2:17][CH2:18][c:19]3[c:20]([C:21]([F:22])([F:23])[F:24])[cH:25][cH:26][cH:27][c:28]31)[cH:29]2 ORWRPEPKZBPMTK-UHFFFAOYSA-N.WYRONQVMJMJUKG-VIFPVBQESA-N>>MPESIMKFKUCLGB-PQJIZZRHSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[O;H0;D2;+0:4]-[c:5]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[OH;D1;+0:4]-[c:5] bf217234855385f1d42219d2d72da1d1dbdb1839d1661836ea18a6962590e6de [CH3:1][C:2](=[O:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C:11]4=[CH:12][C:13](=[O:14])[CH2:15][CH2:16][C@:17]4([CH3:18])[C@H:19]3[C@H:20]([OH:21])[CH2:22][C@:23]12[CH3:24]>C1COCCO1.[Pd].c1ccncc1>[CH3:1][C:2](=[O:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH2:10][C@@H:11]4[CH2:12][C:13](=[O:14])[CH2:15][CH2:16][C@:17]4([CH3:18])[C@H:19]3[C@H:20]([OH:21])[CH2:22][C@:23]12[CH3:24] BFZHCUBIASXHPK-QJSKAATBSA-N>>XHCCPSKYYJBSAA-JMQWGRHHSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[CH2;D2;+0:4]-[C:5]=[O;D1;H0:6]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[CH;D2;+0:4]-[C:5]=[O;D1;H0:6] e8d4f1f8149597570a8322f400fb98a7d2abf7f149d24a71d72a23f2556221b5 [CH3:1][CH:2]1[O:3][CH2:4][CH2:5][O:6][C@@:7]12[CH2:8][CH2:9][C@H:10]1[C@H:11]3[C@H:12]([CH2:13][CH2:14][C@:15]21[CH3:16])[C@@:17]1([CH3:18])[CH2:19][CH2:20][C@H:21]([O:22][C:23](=[O:24])[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH2:31][C@@H:32]1[CH2:33][C:34]3=[O:35]>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.OO.[Li+].[Na+].O>[CH3:1][CH:2]1[O:3][CH2:4][CH2:5][O:6][C@@:7]12[CH2:8][CH2:9][C@H:10]1[C@H:11]3[C@H:12]([CH2:13][CH2:14][C@:15]21[CH3:16])[C@@:17]1([CH3:18])[CH2:19][CH2:20][C@H:21]([O:22][C:23](=[O:24])[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH2:31][C@@H:32]1[CH2:33][C@H:34]3[OH:35] ROBPTGJWCSMREG-XPJDTYTBSA-N>>VTPLUYCKEQMGBM-AGOYINEPSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C:2](=[O:3])[O:4][C@@H:5]1[CH2:6][C@@:7]2([CH3:8])[C@@H:9]([CH2:10][CH2:11][C@:12]2([OH:13])[C:14]([CH3:15])=[O:16])[C@@H:17]2[CH2:18][CH2:19][C:20]3=[CH:21][C:22](=[O:23])[CH2:24][CH2:25][C@:26]3([CH3:27])[C@@H:28]12>C1COCCO1.[Pd].c1ccncc1>[CH3:1][C:2](=[O:3])[O:4][C@@H:5]1[CH2:6][C@@:7]2([CH3:8])[C@@H:9]([CH2:10][CH2:11][C@:12]2([OH:13])[C:14]([CH3:15])=[O:16])[C@@H:17]2[CH2:18][CH2:19][C@@H:20]3[CH2:21][C:22](=[O:23])[CH2:24][CH2:25][C@:26]3([CH3:27])[C@@H:28]12 HSQYHDHKXSDFST-JSXDIISVSA-N>>JHEWZHWJPSXCDX-DFAHQKSLSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[CH2;D2;+0:4]-[C:5]=[O;D1;H0:6]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[CH;D2;+0:4]-[C:5]=[O;D1;H0:6] e8d4f1f8149597570a8322f400fb98a7d2abf7f149d24a71d72a23f2556221b5 Br[Mg][c:13]1[cH:14][cH:15][c:16]([C:17]([CH3:18])([CH3:19])[CH3:20])[cH:21][cH:22]1.[CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]([I:9])[c:10]1[CH:11]=[O:12])[C@@H:23]([O:24][Si:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:32][C:33]([CH3:34])([CH3:35])[CH2:36]2>>[CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]([I:9])[c:10]1[C@@H:11]([OH:12])[c:13]1[cH:14][cH:15][c:16]([C:17]([CH3:18])([CH3:19])[CH3:20])[cH:21][cH:22]1)[C@@H:23]([O:24][Si:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:32][C:33]([CH3:34])([CH3:35])[CH2:36]2 HPNNWLIDGYVIJZ-INIZCTEOSA-N.YECFWFOEQLAVNH-UHFFFAOYSA-M>>FYLVCSOBRYCFBP-FIPFOOKPSA-N 0.0 Unrecognized False substrate controlled False [#7;a:4]:[c:5]:[c:6]-[C@@H;D3;+0:7](-[OH;D1;+0:8])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>Br-[Mg]-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7;a:4]:[c:5]:[c:6]-[CH;D2;+0:7]=[O;H0;D1;+0:8] f4aa5dad62924ac5b67aef588ecb12a87383ad96436c2523418e67a5007a622d Br[Mg][c:13]1[cH:14][cH:15][c:16]([O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:25][cH:26]1.[CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]([I:9])[c:10]1[CH:11]=[O:12])[C@@H:27]([O:28][Si:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:36][C:37]([CH3:38])([CH3:39])[CH2:40]2>>[CH3:1][CH:2]([CH3:3])[c:4]1[n:5][c:6]2[c:7]([c:8]([I:9])[c:10]1[C@@H:11]([OH:12])[c:13]1[cH:14][cH:15][c:16]([O:17][CH2:18][c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[cH:25][cH:26]1)[C@@H:27]([O:28][Si:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[CH3:35])[CH2:36][C:37]([CH3:38])([CH3:39])[CH2:40]2 HPNNWLIDGYVIJZ-INIZCTEOSA-N.NMSSOXCJYITCNG-UHFFFAOYSA-M>>UCEZFAWWMGJZPZ-UCGGBYDDSA-N 0.0 Unrecognized False substrate controlled False [#7;a:4]:[c:5]:[c:6]-[C@@H;D3;+0:7](-[OH;D1;+0:8])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>Br-[Mg]-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7;a:4]:[c:5]:[c:6]-[CH;D2;+0:7]=[O;H0;D1;+0:8] f4aa5dad62924ac5b67aef588ecb12a87383ad96436c2523418e67a5007a622d O=[C:4]1[CH2:3][C@@H:2]([CH3:1])[C@@H:14]([c:15]2[cH:16][n:17][c:18]3[cH:19][n:20][c:21]4[c:22]([cH:23][cH:24][nH:25]4)[n:26]23)[CH2:13]1.[NH:5]1[CH2:6][CH2:7][CH:8]([C:9]#[N:10])[CH2:11][CH2:12]1>CC(=O)O.CC(=O)OB(OC(C)=O)OC(C)=O.CO.ClCCl.[Na+]>[CH3:1][C@@H:2]1[CH2:3][C@H:4]([N:5]2[CH2:6][CH2:7][CH:8]([C:9]#[N:10])[CH2:11][CH2:12]2)[CH2:13][C@@H:14]1[c:15]1[cH:16][n:17][c:18]2[cH:19][n:20][c:21]3[c:22]([cH:23][cH:24][nH:25]3)[n:26]12 FSDNTQSJGHSJBG-UHFFFAOYSA-N.LSQRPWXWTKXHFT-SCZZXKLOSA-N>>CVWRJRXOZIBZFW-KBMXLJTQSA-N 0.0 Unrecognized False substrate controlled False [C:4]-[N;H0;D3;+0:5](-[C:6])-[C@H;D3;+0:1](-[C:2])-[C:3]>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[C:4]-[NH;D2;+0:5]-[C:6] 777903f37b47ae3e31ddb6d72eebb58bd121b42b4a901eba099bd4f3a499b2bc [CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6](=[O:7])(=[O:8])[n:9]2[cH:10][cH:11][c:12]3[c:13]2[n:14][cH:15][c:16]2[n:17][cH:18][c:19]([C@H:20]4[CH2:21][C:22](=[O:23])[CH2:24][C@H:25]4[CH3:26])[n:27]32)[cH:28][cH:29]1>CO.B.[Na+]>[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6](=[O:7])(=[O:8])[n:9]2[cH:10][cH:11][c:12]3[c:13]2[n:14][cH:15][c:16]2[n:17][cH:18][c:19]([C@H:20]4[CH2:21][C@@H:22]([OH:23])[CH2:24][C@H:25]4[CH3:26])[n:27]32)[cH:28][cH:29]1 GMJMPFOXBQFVRJ-PBHICJAKSA-N>>HDHIYZVUBSVJIZ-VYDXJSESSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]1[CH2:7][C:8](=[O:9])[CH2:10][C@H:11]1[CH3:12]>CCO.B.[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[C@H:6]1[CH2:7][C@@H:8]([OH:9])[CH2:10][C@H:11]1[CH3:12] PHQDSQKSTRVKJN-SVRRBLITSA-N>>NETDRVVZJOZXPR-CSMHCCOUSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [O:1]=[N+:2]([O-:3])[c:4]1[c:5]([C@H:6]2[CH2:7][C:8](=[O:9])[C@@:10]3([OH:11])[CH2:12][CH2:13][CH2:14][CH2:15][C@H:16]3[O:17]2)[cH:18][cH:19][n:20][cH:21]1>CO.B.[Na+]>[O:1]=[N+:2]([O-:3])[c:4]1[c:5]([C@H:6]2[CH2:7][C@@H:8]([OH:9])[C@@:10]3([OH:11])[CH2:12][CH2:13][CH2:14][CH2:15][C@H:16]3[O:17]2)[cH:18][cH:19][n:20][cH:21]1 PPWLNPHVINXSKL-BNOWGMLFSA-N>>XKJDFODPMKFGNC-SYQHCUMBSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [O:1]=[N+:2]([O-:3])[c:4]1[c:5]([C@H:6]2[CH2:7][C:8](=[O:9])[C@@:10]3([OH:11])[CH2:12][CH2:13][CH2:14][C@H:15]3[O:16]2)[cH:17][cH:18][n:19][cH:20]1>CCO.B.[Na+]>[O:1]=[N+:2]([O-:3])[c:4]1[c:5]([C@H:6]2[CH2:7][C@@H:8]([OH:9])[C@@:10]3([OH:11])[CH2:12][CH2:13][CH2:14][C@H:15]3[O:16]2)[cH:17][cH:18][n:19][cH:20]1 MQVXPOQBZGTPQV-RTXFEEFZSA-N>>GRGLVDFFCVHDCZ-LPWJVIDDSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d O=[C:8]1[CH2:7][C@H:6]([c:5]2[c:4]([N+:2](=[O:1])[O-:3])[cH:26][n:25][cH:24][cH:23]2)[O:22][C@H:21]2[C@@H:17]1[CH2:18][CH2:19][CH2:20]2.[NH2:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1>CCOC(C)=O.CO.B.[Li+]>[O:1]=[N+:2]([O-:3])[c:4]1[c:5]([C@H:6]2[CH2:7][C@@H:8]([NH:9][CH2:10][c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[C@H:17]3[CH2:18][CH2:19][CH2:20][C@H:21]3[O:22]2)[cH:23][cH:24][n:25][cH:26]1 UDQMAEUWUGSYAO-OASPWFOLSA-N.WGQKYBSKWIADBV-UHFFFAOYSA-N>>AMVMZYDLMIBZHZ-RARDXLECSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 e2359fb816f6bae4d842f90c85938e1b4e834430a7315ba854d2d2cb224bedee [O:1]=[N+:2]([O-:3])[c:4]1[c:5]([C@H:6]2[CH2:7][C:8](=[O:9])[C@H:10]([OH:11])[C@@H:12]([CH:13]3[CH2:14][CH2:15]3)[O:16]2)[cH:17][cH:18][n:19][cH:20]1>CCO.B.[Na+]>[O:1]=[N+:2]([O-:3])[c:4]1[c:5]([C@H:6]2[CH2:7][C@@H:8]([OH:9])[C@H:10]([OH:11])[C@@H:12]([CH:13]3[CH2:14][CH2:15]3)[O:16]2)[cH:17][cH:18][n:19][cH:20]1 ZUEXJGDVFRBJPL-FRRDWIJNSA-N>>TZASDUCARDFLIQ-FVCCEPFGSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d O=[C:8]1[CH2:7][C@H:6]([c:5]2[c:4]([N+:2](=[O:1])[O-:3])[cH:27][n:26][cH:25][cH:24]2)[O:23][C@H:22]2[C@:17]1([OH:18])[CH2:19][CH2:20][CH2:21]2.[NH2:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1>CO.B.[Li+]>[O:1]=[N+:2]([O-:3])[c:4]1[c:5]([C@H:6]2[CH2:7][C@@H:8]([NH:9][CH2:10][c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[C@@:17]3([OH:18])[CH2:19][CH2:20][CH2:21][C@H:22]3[O:23]2)[cH:24][cH:25][n:26][cH:27]1 MQVXPOQBZGTPQV-RTXFEEFZSA-N.WGQKYBSKWIADBV-UHFFFAOYSA-N>>SBBKSCIHHIEJCG-WTGUMLROSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 e2359fb816f6bae4d842f90c85938e1b4e834430a7315ba854d2d2cb224bedee O=[C:15]1[CH2:14][C@H:4]([c:5]2[c:6]([N+:7](=[O:8])[O-:9])[cH:10][n:11][cH:12][cH:13]2)[O:3][C@H:2]([CH3:1])[C@@:24]1([CH3:25])[OH:26].[NH2:16][CH2:17][c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1>CO.B.[Li+]>[CH3:1][C@H:2]1[O:3][C@@H:4]([c:5]2[c:6]([N+:7](=[O:8])[O-:9])[cH:10][n:11][cH:12][cH:13]2)[CH2:14][C@@H:15]([NH:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[C@:24]1([CH3:25])[OH:26] CSAPNBAALXEJMU-NYRNMGCKSA-N.WGQKYBSKWIADBV-UHFFFAOYSA-N>>RMQSTZYYSOZZFV-BYNBJNPRSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 e2359fb816f6bae4d842f90c85938e1b4e834430a7315ba854d2d2cb224bedee O=[C:8]1[CH2:7][C@H:6]([c:5]2[c:4]([N+:2](=[O:1])[O-:3])[cH:28][n:27][cH:26][cH:25]2)[O:24][C@H:23]2[C@:17]1([OH:18])[CH2:19][CH2:20][CH2:21][CH2:22]2.[NH2:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1>CO.B.[Li+]>[O:1]=[N+:2]([O-:3])[c:4]1[c:5]([C@H:6]2[CH2:7][C@@H:8]([NH:9][CH2:10][c:11]3[cH:12][cH:13][cH:14][cH:15][cH:16]3)[C@@:17]3([OH:18])[CH2:19][CH2:20][CH2:21][CH2:22][C@H:23]3[O:24]2)[cH:25][cH:26][n:27][cH:28]1 PPWLNPHVINXSKL-BNOWGMLFSA-N.WGQKYBSKWIADBV-UHFFFAOYSA-N>>ZVYCTRROJAUOQH-NCYKPQTJSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 e2359fb816f6bae4d842f90c85938e1b4e834430a7315ba854d2d2cb224bedee [CH3:1][C@:2]1([OH:3])[C:4](=[O:5])[CH2:6][C@H:7]([c:8]2[c:9]([N+:10](=[O:11])[O-:12])[cH:13][n:14][cH:15][cH:16]2)[O:17][C@@H:18]1[CH:19]1[CH2:20][CH2:21]1>CCO.B.[Na+]>[CH3:1][C@:2]1([OH:3])[C@H:4]([OH:5])[CH2:6][C@H:7]([c:8]2[c:9]([N+:10](=[O:11])[O-:12])[cH:13][n:14][cH:15][cH:16]2)[O:17][C@@H:18]1[CH:19]1[CH2:20][CH2:21]1 ZGCDDMJTUKXTOJ-BNOWGMLFSA-N>>VDNYCOTVQNKJRG-SYQHCUMBSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 O=[C:18]1[CH2:17][C@H:7]([c:8]2[c:9]([N+:10](=[O:11])[O-:12])[cH:13][n:14][cH:15][cH:16]2)[O:6][C@H:5]([C:2]([CH3:1])([CH3:3])[CH3:4])[C@H:27]1[OH:28].[NH2:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1>CO.B.[Li+]>[CH3:1][C:2]([CH3:3])([CH3:4])[C@H:5]1[O:6][C@@H:7]([c:8]2[c:9]([N+:10](=[O:11])[O-:12])[cH:13][n:14][cH:15][cH:16]2)[CH2:17][C@H:18]([NH:19][CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[C@@H:27]1[OH:28] KEVDLEGQBYWCKN-AGIUHOORSA-N.WGQKYBSKWIADBV-UHFFFAOYSA-N>>UCPKXGYEEJNAII-RNQOJCNYSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:1](-[C:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 8d7f71fe86028e9e12d66697fadec826dce8c59099c83dd66a3093c4f969778a O=[C:17]1[CH2:16][C@H:6]([c:7]2[c:8]([N+:9](=[O:10])[O-:11])[cH:12][n:13][cH:14][cH:15]2)[O:5][C@H:4]([CH:2]([CH3:1])[CH3:3])[C@H:26]1[OH:27].[NH2:18][CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1>CO.B.[Li+]>[CH3:1][CH:2]([CH3:3])[C@H:4]1[O:5][C@@H:6]([c:7]2[c:8]([N+:9](=[O:10])[O-:11])[cH:12][n:13][cH:14][cH:15]2)[CH2:16][C@@H:17]([NH:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[C@@H:26]1[OH:27] NIROZKHOBCDWKF-FRRDWIJNSA-N.WGQKYBSKWIADBV-UHFFFAOYSA-N>>GFKNHHMJSGVSAP-RSPOEFSDSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 e2359fb816f6bae4d842f90c85938e1b4e834430a7315ba854d2d2cb224bedee [CH3:1][CH2:2][CH2:3][C:4](=[O:5])[C@@H:6]([CH2:7][N+:8](=[O:9])[O-:10])[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1>CO.B.[Na+]>[CH3:1][CH2:2][CH2:3][C@@H:4]([OH:5])[C@@H:6]([CH2:7][N+:8](=[O:9])[O-:10])[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1 BUNOAFHAFCFUGX-NSHDSACASA-N>>LZNVHSKKYNMRRQ-NWDGAFQWSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [C@@H:14]12[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]3[CH2:21][C@@H:22]1[O:23]2.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]1[CH2:10][CH2:11][CH2:12][NH:13][CH2:24]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]1[CH2:10][CH2:11][CH2:12][N:13]([C@H:14]2[c:15]3[cH:16][cH:17][cH:18][cH:19][c:20]3[CH2:21][C@@H:22]2[OH:23])[CH2:24]1 UKGCFMYYDATGNN-DTWKUNHWSA-N.WUOQXNWMYLFAHT-MRVPVSSYSA-N>>GQVXRMNVGIYBCZ-PVAVHDDUSA-N 0.0 Unrecognized False stereospecific False [C:1]-[N;H0;D3;+0:2](-[C:3])-[C@@H;D3;+0:7]1-[C@@H;D3;+0:5](-[OH;D1;+0:6])-[C:4]-[c:13]2:[c:12]:[c:11]:[c:10]:[c:9]:[c:8]:2-1>>[C:1]-[NH;D2;+0:2]-[C:3].[C:4]1-[C@@H;D3;+0:5]2-[O;H0;D2;+0:6]-[C@@H;D3;+0:7]-2-[c:8]2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2-1 76cc2856b9f3918b9b9241074fdcfa022f8f3e35408a7fceae81f8a8b63c2e91 [C@@H:14]12[c:15]3[cH:16][c:17]([S:18]([CH3:19])(=[O:20])=[O:21])[cH:22][cH:23][c:24]3[CH2:25][C@@H:26]1[O:27]2.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]1[CH2:10][CH2:11][CH2:12][NH:13][CH2:28]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]1[CH2:10][CH2:11][CH2:12][N:13]([C@H:14]2[c:15]3[cH:16][c:17]([S:18]([CH3:19])(=[O:20])=[O:21])[cH:22][cH:23][c:24]3[CH2:25][C@@H:26]2[OH:27])[CH2:28]1 PXBINDCEWNJTLP-VHSXEESVSA-N.WUOQXNWMYLFAHT-MRVPVSSYSA-N>>SENKWLVNTROWOM-JLSDUUJJSA-N 0.0 Unrecognized False stereospecific False [C:1]-[N;H0;D3;+0:2](-[C:3])-[C@@H;D3;+0:7]1-[C@@H;D3;+0:5](-[OH;D1;+0:6])-[C:4]-[c:13]2:[c:12]:[c:11]:[c:10]:[c:9]:[c:8]:2-1>>[C:1]-[NH;D2;+0:2]-[C:3].[C:4]1-[C@@H;D3;+0:5]2-[O;H0;D2;+0:6]-[C@@H;D3;+0:7]-2-[c:8]2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2-1 76cc2856b9f3918b9b9241074fdcfa022f8f3e35408a7fceae81f8a8b63c2e91 [C@@H:15]12[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]3[CH2:22][C@@H:23]1[O:24]2.[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH3:10])([CH3:11])[CH:12]1[CH2:13][NH:14][CH2:25]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH3:10])([CH3:11])[CH:12]1[CH2:13][N:14]([C@H:15]2[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]3[CH2:22][C@@H:23]2[OH:24])[CH2:25]1 OJURJDDXYFRCBQ-UHFFFAOYSA-N.UKGCFMYYDATGNN-DTWKUNHWSA-N>>OFSAGRYYLTUDSL-IRXDYDNUSA-N 0.0 Unrecognized False stereospecific False [C:1]-[N;H0;D3;+0:2](-[C:3])-[C@@H;D3;+0:7]1-[C@@H;D3;+0:5](-[OH;D1;+0:6])-[C:4]-[c:13]2:[c:12]:[c:11]:[c:10]:[c:9]:[c:8]:2-1>>[C:1]-[NH;D2;+0:2]-[C:3].[C:4]1-[C@@H;D3;+0:5]2-[O;H0;D2;+0:6]-[C@@H;D3;+0:7]-2-[c:8]2:[c:9]:[c:10]:[c:11]:[c:12]:[c:13]:2-1 76cc2856b9f3918b9b9241074fdcfa022f8f3e35408a7fceae81f8a8b63c2e91 [O:1]=[N+:2]([O-:3])[CH2:4][CH2:5][C:6](=[O:7])[c:8]1[cH:9][c:10]([F:11])[c:12]([F:13])[cH:14][cH:15]1>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CO.CSC>[O:1]=[N+:2]([O-:3])[CH2:4][CH2:5][C@@H:6]([OH:7])[c:8]1[cH:9][c:10]([F:11])[c:12]([F:13])[cH:14][cH:15]1 RLFBFKNBBZJWHA-UHFFFAOYSA-N>>IIPKDNLHLXDNRT-SECBINFHSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [O:1]=[N+:2]([O-:3])[CH2:4][CH2:5][C:6](=[O:7])[c:8]1[cH:9][c:10]([F:11])[c:12]([F:13])[cH:14][cH:15]1>B.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CCN(CC)c1ccccc1.CO.Cc1ccccc1.Cl>[O:1]=[N+:2]([O-:3])[CH2:4][CH2:5][C@H:6]([OH:7])[c:8]1[cH:9][c:10]([F:11])[c:12]([F:13])[cH:14][cH:15]1 RLFBFKNBBZJWHA-UHFFFAOYSA-N>>IIPKDNLHLXDNRT-VIFPVBQESA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c N[C@@H:8]([CH2:7][CH2:6][CH2:5][CH2:4][NH:3][C:2](=[O:1])[O:13][CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[C:10](=[O:11])[OH:12].[OH2:9]>CC(=O)O.O=NO.[Na+]>[O:1]=[C:2]([NH:3][CH2:4][CH2:5][CH2:6][CH2:7][C@H:8]([OH:9])[C:10](=[O:11])[OH:12])[O:13][CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1 CKGCFBNYQJDIGS-LBPRGKRZSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>USGBKNFPBNWKDC-LBPRGKRZSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[OH;D1;+0:6])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[OH2;D0;+0:6] 3b2930445911a30f6eef1993b611280cb26ac438bc2995944b0d46cd68ec10e9 O=[C:14]1[CH2:13][CH2:12][C@@H:11]([c:10]2[cH:9][cH:8][c:7]([CH2:6][C:4]([O:3][CH2:2][CH3:1])=[O:5])[cH:29][cH:28]2)[CH2:27]1.[NH2:15][C@H:16]([CH3:17])[c:18]1[cH:19][c:20]([O:21][CH3:22])[c:23]([F:24])[cH:25][cH:26]1>CC#N.CC(=O)OB(OC(C)=O)OC(C)=O.Cl.[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][c:7]1[cH:8][cH:9][c:10]([C@@H:11]2[CH2:12][CH2:13][C@H:14]([NH:15][C@H:16]([CH3:17])[c:18]3[cH:19][c:20]([O:21][CH3:22])[c:23]([F:24])[cH:25][cH:26]3)[CH2:27]2)[cH:28][cH:29]1 ZWGACGJGEVFINO-CYBMUJFWSA-N.ZYUQFKDHMDFLHO-ZCFIWIBFSA-N>>STWCXMDLGYDCOY-HBGVWJBISA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:1](-[C:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 8d7f71fe86028e9e12d66697fadec826dce8c59099c83dd66a3093c4f969778a O=[C:14]1[CH2:13][CH2:12][C@@H:11]([c:10]2[cH:9][cH:8][c:7]([CH2:6][C:4]([O:3][CH2:2][CH3:1])=[O:5])[cH:27][cH:26]2)[CH2:25]1.[NH2:15][C@H:16]([CH3:17])[c:18]1[cH:19][c:20]([Cl:21])[cH:22][cH:23][cH:24]1>CC#N.CC(=O)OB(OC(C)=O)OC(C)=O.[Na+]>[CH3:1][CH2:2][O:3][C:4](=[O:5])[CH2:6][c:7]1[cH:8][cH:9][c:10]([C@@H:11]2[CH2:12][CH2:13][C@H:14]([NH:15][C@H:16]([CH3:17])[c:18]3[cH:19][c:20]([Cl:21])[cH:22][cH:23][cH:24]3)[CH2:25]2)[cH:26][cH:27]1 DQEYVZASLGNODG-ZCFIWIBFSA-N.ZWGACGJGEVFINO-CYBMUJFWSA-N>>TURHSNPGYUYGHR-CNDZOEFASA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:1](-[C:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 8d7f71fe86028e9e12d66697fadec826dce8c59099c83dd66a3093c4f969778a CC(=O)O[C@@H:24]1[CH:23]=[CH:8][O:7][C@H:6]([CH2:5][O:4][C:2]([CH3:1])=[O:3])[C@H:25]1[O:26][C:27]([CH3:28])=[O:29].OB(O)[c:9]1[cH:10][c:11]([O:12][Si:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[CH3:19])[cH:20][cH:21][cH:22]1>CC#N.CC(=O)O.CC(=O)O.ClCCl.[Pd+2]>[CH3:1][C:2](=[O:3])[O:4][CH2:5][C@H:6]1[O:7][C@H:8]([c:9]2[cH:10][c:11]([O:12][Si:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[CH3:19])[cH:20][cH:21][cH:22]2)[CH:23]=[CH:24][C@@H:25]1[O:26][C:27]([CH3:28])=[O:29] LLPWGHLVUPBSLP-UTUOFQBUSA-N.RDQWADDNQONTLB-UHFFFAOYSA-N>>SAYKDYQVZRHJJI-PCCBWWKXSA-N 0.0 Unrecognized False substrate controlled False [C;D1;H3:9]-[C:8](=[O;D1;H0:10])-[#8:7]-[C:6]1-[C:5]-[#8:4]-[C@H;D3;+0:3](-[c;H0;D3;+0:11](:[c:12]):[c:13])-[CH;D2;+0:2]=[CH;D2;+0:1]-1>>C-C(=O)-O-[C@@H;D3;+0:1]1-[CH;D2;+0:2]=[CH;D2;+0:3]-[#8:4]-[C:5]-[C:6]-1-[#8:7]-[C:8](-[C;D1;H3:9])=[O;D1;H0:10].O-B(-O)-[c;H0;D3;+0:11](:[c:12]):[c:13] 8f7fbd603ab8361a4cdf24fd9faaea6c1caa37e672d1ad774993ddae4634a914 CC(=O)O[C@@H:17]1[CH:16]=[CH:8][O:7][C@H:6]([CH2:5][O:4][C:2]([CH3:1])=[O:3])[C@H:18]1[O:19][C:20]([CH3:21])=[O:22].OB(O)[c:9]1[cH:10][c:11]([Br:12])[cH:13][cH:14][cH:15]1>CC#N.CC(=O)O.CC(=O)O.[Pd+2]>[CH3:1][C:2](=[O:3])[O:4][CH2:5][C@H:6]1[O:7][C@H:8]([c:9]2[cH:10][c:11]([Br:12])[cH:13][cH:14][cH:15]2)[CH:16]=[CH:17][C@@H:18]1[O:19][C:20]([CH3:21])=[O:22] AFSSVCNPDKKSRR-UHFFFAOYSA-N.LLPWGHLVUPBSLP-UTUOFQBUSA-N>>KZUIHQVNJBTHKA-HRCADAONSA-N 0.0 Unrecognized False substrate controlled False [C;D1;H3:9]-[C:8](=[O;D1;H0:10])-[#8:7]-[C:6]1-[C:5]-[#8:4]-[C@H;D3;+0:3](-[c;H0;D3;+0:11](:[c:12]):[c:13])-[CH;D2;+0:2]=[CH;D2;+0:1]-1>>C-C(=O)-O-[C@@H;D3;+0:1]1-[CH;D2;+0:2]=[CH;D2;+0:3]-[#8:4]-[C:5]-[C:6]-1-[#8:7]-[C:8](-[C;D1;H3:9])=[O;D1;H0:10].O-B(-O)-[c;H0;D3;+0:11](:[c:12]):[c:13] 8f7fbd603ab8361a4cdf24fd9faaea6c1caa37e672d1ad774993ddae4634a914 CC(=O)O[C@@H:17]1[CH:16]=[CH:8][O:7][C@H:6]([CH2:5][O:4][C:2]([CH3:1])=[O:3])[C@H:18]1[O:19][C:20]([CH3:21])=[O:22].OB(O)[c:9]1[cH:10][cH:11][c:12]([OH:13])[cH:14][cH:15]1>CC#N.CC(=O)O.CC(=O)O.[Pd+2]>[CH3:1][C:2](=[O:3])[O:4][CH2:5][C@H:6]1[O:7][C@H:8]([c:9]2[cH:10][cH:11][c:12]([OH:13])[cH:14][cH:15]2)[CH:16]=[CH:17][C@@H:18]1[O:19][C:20]([CH3:21])=[O:22] COIQUVGFTILYGA-UHFFFAOYSA-N.LLPWGHLVUPBSLP-UTUOFQBUSA-N>>WOQHHCMSRRCTSN-HRCADAONSA-N 0.0 Unrecognized False substrate controlled False [C;D1;H3:9]-[C:8](=[O;D1;H0:10])-[#8:7]-[C:6]1-[C:5]-[#8:4]-[C@H;D3;+0:3](-[c;H0;D3;+0:11](:[c:12]):[c:13])-[CH;D2;+0:2]=[CH;D2;+0:1]-1>>C-C(=O)-O-[C@@H;D3;+0:1]1-[CH;D2;+0:2]=[CH;D2;+0:3]-[#8:4]-[C:5]-[C:6]-1-[#8:7]-[C:8](-[C;D1;H3:9])=[O;D1;H0:10].O-B(-O)-[c;H0;D3;+0:11](:[c:12]):[c:13] 8f7fbd603ab8361a4cdf24fd9faaea6c1caa37e672d1ad774993ddae4634a914 CC(=O)O[C@@H:18]1[CH:17]=[CH:8][O:7][C@H:6]([CH2:5][O:4][C:2]([CH3:1])=[O:3])[C@H:19]1[O:20][C:21]([CH3:22])=[O:23].OB(O)[c:9]1[cH:10][c:11]([OH:12])[c:13]([Cl:14])[cH:15][cH:16]1>CC#N.CC(=O)O.CC(=O)O.[Pd+2]>[CH3:1][C:2](=[O:3])[O:4][CH2:5][C@H:6]1[O:7][C@H:8]([c:9]2[cH:10][c:11]([OH:12])[c:13]([Cl:14])[cH:15][cH:16]2)[CH:17]=[CH:18][C@@H:19]1[O:20][C:21]([CH3:22])=[O:23] LLPWGHLVUPBSLP-UTUOFQBUSA-N.XMMHXKOVZNBHSA-UHFFFAOYSA-N>>DFTRZBGFYURSOD-HRCADAONSA-N 0.0 Unrecognized False substrate controlled False [C;D1;H3:9]-[C:8](=[O;D1;H0:10])-[#8:7]-[C:6]1-[C:5]-[#8:4]-[C@H;D3;+0:3](-[c;H0;D3;+0:11](:[c:12]):[c:13])-[CH;D2;+0:2]=[CH;D2;+0:1]-1>>C-C(=O)-O-[C@@H;D3;+0:1]1-[CH;D2;+0:2]=[CH;D2;+0:3]-[#8:4]-[C:5]-[C:6]-1-[#8:7]-[C:8](-[C;D1;H3:9])=[O;D1;H0:10].O-B(-O)-[c;H0;D3;+0:11](:[c:12]):[c:13] 8f7fbd603ab8361a4cdf24fd9faaea6c1caa37e672d1ad774993ddae4634a914 CC(=O)O[C@@H:18]1[CH:17]=[CH:8][O:7][C@H:6]([CH2:5][O:4][C:2]([CH3:1])=[O:3])[C@H:19]1[O:20][C:21]([CH3:22])=[O:23].OB(O)[c:9]1[cH:10][c:11]([CH2:12][OH:13])[cH:14][cH:15][cH:16]1>CC#N.CC(=O)O.CC(=O)O.ClCCl.[Pd+2]>[CH3:1][C:2](=[O:3])[O:4][CH2:5][C@H:6]1[O:7][C@H:8]([c:9]2[cH:10][c:11]([CH2:12][OH:13])[cH:14][cH:15][cH:16]2)[CH:17]=[CH:18][C@@H:19]1[O:20][C:21]([CH3:22])=[O:23] HGTDLKXUWVKLQX-UHFFFAOYSA-N.LLPWGHLVUPBSLP-UTUOFQBUSA-N>>GDENSPGMZCCJET-YESZJQIVSA-N 0.0 Unrecognized False substrate controlled False [C;D1;H3:9]-[C:8](=[O;D1;H0:10])-[#8:7]-[C:6]1-[C:5]-[#8:4]-[C@H;D3;+0:3](-[c;H0;D3;+0:11](:[c:12]):[c:13])-[CH;D2;+0:2]=[CH;D2;+0:1]-1>>C-C(=O)-O-[C@@H;D3;+0:1]1-[CH;D2;+0:2]=[CH;D2;+0:3]-[#8:4]-[C:5]-[C:6]-1-[#8:7]-[C:8](-[C;D1;H3:9])=[O;D1;H0:10].O-B(-O)-[c;H0;D3;+0:11](:[c:12]):[c:13] 8f7fbd603ab8361a4cdf24fd9faaea6c1caa37e672d1ad774993ddae4634a914 O=[C:12]1[CH2:13][CH2:14][C@@H:15]([c:16]2[cH:17][cH:18][c:19]([F:20])[n:21][cH:22]2)[CH2:23]1.[CH3:1][O:2][c:3]1[c:4]([F:5])[cH:6][cH:7][c:8]([C@@H:9]([CH3:10])[NH2:11])[cH:24]1>CC#N.CC(=O)O.CC(=O)OB(OC(C)=O)OC(C)=O.Cl.O=C(O)O.[Na+].[Na+]>[CH3:1][O:2][c:3]1[c:4]([F:5])[cH:6][cH:7][c:8]([C@@H:9]([CH3:10])[NH:11][C@H:12]2[CH2:13][CH2:14][C@@H:15]([c:16]3[cH:17][cH:18][c:19]([F:20])[n:21][cH:22]3)[CH2:23]2)[cH:24]1 JIHLYTRVUNRAPW-SSDOTTSWSA-N.ZYUQFKDHMDFLHO-ZCFIWIBFSA-N>>DRVOFINGPGLANA-XPKDYRNWSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 e2359fb816f6bae4d842f90c85938e1b4e834430a7315ba854d2d2cb224bedee O=[C:4]1[CH2:5][CH2:6][C@@H:7]([c:8]2[cH:9][cH:10][c:11]([F:12])[n:13][cH:14]2)[CH2:15]1.[CH3:1][C@@H:2]([NH2:3])[c:16]1[cH:17][c:18]([Cl:19])[cH:20][cH:21][cH:22]1>>[CH3:1][C@@H:2]([NH:3][C@H:4]1[CH2:5][CH2:6][C@@H:7]([c:8]2[cH:9][cH:10][c:11]([F:12])[n:13][cH:14]2)[CH2:15]1)[c:16]1[cH:17][c:18]([Cl:19])[cH:20][cH:21][cH:22]1 DQEYVZASLGNODG-ZCFIWIBFSA-N.JIHLYTRVUNRAPW-SSDOTTSWSA-N>>DRSLHQNNHKEVFA-MRRJBJDNSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 e2359fb816f6bae4d842f90c85938e1b4e834430a7315ba854d2d2cb224bedee O=[C:12]1[CH2:13][CH2:14][C@@H:15]([c:16]2[cH:17][cH:18][c:19]([F:20])[n:21][cH:22]2)[CH2:23]1.[CH3:1][CH2:2][O:3][c:4]1[cH:5][cH:6][cH:7][c:8]([C@@H:9]([CH3:10])[NH2:11])[cH:24]1>>[CH3:1][CH2:2][O:3][c:4]1[cH:5][cH:6][cH:7][c:8]([C@@H:9]([CH3:10])[NH:11][C@H:12]2[CH2:13][CH2:14][C@@H:15]([c:16]3[cH:17][cH:18][c:19]([F:20])[n:21][cH:22]3)[CH2:23]2)[cH:24]1 JIHLYTRVUNRAPW-SSDOTTSWSA-N.YIPGPYIRKCOZJP-MRVPVSSYSA-N>>YHTGIJDEVAADIU-KYJSFNMBSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 e2359fb816f6bae4d842f90c85938e1b4e834430a7315ba854d2d2cb224bedee O=[C:12]1[CH2:13][CH2:14][C@@H:15]([c:16]2[cH:17][cH:18][c:19]([I:20])[n:21][cH:22]2)[CH2:23]1.[CH3:1][O:2][c:3]1[c:4]([F:5])[cH:6][cH:7][c:8]([C@@H:9]([CH3:10])[NH2:11])[cH:24]1>Cl>[CH3:1][O:2][c:3]1[c:4]([F:5])[cH:6][cH:7][c:8]([C@@H:9]([CH3:10])[NH:11][C@H:12]2[CH2:13][CH2:14][C@@H:15]([c:16]3[cH:17][cH:18][c:19]([I:20])[n:21][cH:22]3)[CH2:23]2)[cH:24]1 IUFGRDMOWNPPKI-SSDOTTSWSA-N.ZYUQFKDHMDFLHO-ZCFIWIBFSA-N>>QXQZAHVMLSTVIT-XPKDYRNWSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 e2359fb816f6bae4d842f90c85938e1b4e834430a7315ba854d2d2cb224bedee O=[C:12]1[CH2:13][CH2:14][C@@H:15]([c:16]2[cH:17][n:18][c:19]([S:20]([CH3:21])(=[O:22])=[O:23])[n:24][cH:25]2)[CH2:26]1.[CH3:1][O:2][c:3]1[c:4]([F:5])[cH:6][cH:7][c:8]([C@@H:9]([CH3:10])[NH2:11])[cH:27]1>Cl>[CH3:1][O:2][c:3]1[c:4]([F:5])[cH:6][cH:7][c:8]([C@@H:9]([CH3:10])[NH:11][C@H:12]2[CH2:13][CH2:14][C@@H:15]([c:16]3[cH:17][n:18][c:19]([S:20]([CH3:21])(=[O:22])=[O:23])[n:24][cH:25]3)[CH2:26]2)[cH:27]1 JRWJGLHKHOSMDW-SSDOTTSWSA-N.ZYUQFKDHMDFLHO-ZCFIWIBFSA-N>>VHMWFKKVRQZNTB-XPKDYRNWSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 e2359fb816f6bae4d842f90c85938e1b4e834430a7315ba854d2d2cb224bedee [CH3:1][O:2][C:3](=[O:4])[N:5]1[CH2:6][CH2:7][C@@H:8]2[C@H:9]1[CH2:10][CH2:11][CH2:12][C:13]2=[O:14].[CH:15]#[C:16][c:17]1[cH:18][c:19]([Cl:20])[cH:21][cH:22][cH:23]1>C1CCOC1.[Li]CCCC>[CH3:1][O:2][C:3](=[O:4])[N:5]1[CH2:6][CH2:7][C@@H:8]2[C@H:9]1[CH2:10][CH2:11][CH2:12][C@@:13]2([OH:14])[C:15]#[C:16][c:17]1[cH:18][c:19]([Cl:20])[cH:21][cH:22][cH:23]1 GRBJPHPMYOUMJV-UHFFFAOYSA-N.NZYYBAHLELETLF-HTQZYQBOSA-N>>SLBBLTDNYSBEKS-JFIYKMOQSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@@;H0;D4;+0:4](-[C:5])(-[OH;D1;+0:6])-[C;H0;D2;+0:2]#[C:1]>>[C:1]#[CH;D1;+0:2].[C:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 58836c282b6931b384cb00bb1ac4fa972871b83da72ef39cd3f4aba7f066d7bd CS(=O)(=O)O[C@@H:19]1[C@@H:3]([O:2][CH3:1])[CH2:4][C@H:5]([NH:6][C:7](=[O:8])[O:9][CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[CH2:17][CH2:18]1.[N-:20]=[N+:21]=[N-:22]>CCOC(C)=O.CN(C)C=O.[Na+]>[CH3:1][O:2][C@H:3]1[CH2:4][C@H:5]([NH:6][C:7](=[O:8])[O:9][CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[CH2:17][CH2:18][C@H:19]1[N:20]=[N+:21]=[N-:22] IVRMZWNICZWHMI-UHFFFAOYSA-N.ORYMEBOAWWQLTM-ILXRZTDVSA-N>>AHTATMBILABYSV-MCIONIFRSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3].[N-;H0;D1:4]=[#7;+:5]=[N;-;D1;H0:6] 492c430f48d637aab0c971721cb4d8366eed9f75b9bf7a9ee5b238cfd7eb0d61 [CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([O:6][C@H:7]1[CH2:8][CH2:9][C@@:10]2([CH3:11])[C:12](=[CH:13][CH2:14][CH:15]3[CH:16]4[CH2:17][CH2:18][C:19](=[O:20])[C@@:21]4([CH3:22])[CH2:23][CH2:24][CH:25]23)[CH2:26]1)([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>C1CCOC1.CO.B.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[Si:5]([O:6][C@H:7]1[CH2:8][CH2:9][C@@:10]2([CH3:11])[C:12](=[CH:13][CH2:14][CH:15]3[CH:16]4[CH2:17][CH2:18][C@H:19]([OH:20])[C@@:21]4([CH3:22])[CH2:23][CH2:24][CH:25]23)[CH2:26]1)([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1 DDUQHZIMNFAOCD-PHOLREQRSA-N>>YGVFRBQXDBNUET-XCMGXRPDSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 Fc1c(F)c(F)c(O[P@:10](=[O:11])([NH:12][C@@H:13]([CH3:14])[C:15](=[O:16])[O:17][CH:18]([CH3:19])[CH3:20])[O:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)c(F)c1F.[CH:1]#[C:2][C@@:3]1([OH:4])[C@H:5]([OH:6])[C@@H:7]([CH2:8][OH:9])[O:28][C@H:29]1[n:30]1[cH:31][cH:32][c:33](=[O:34])[nH:35][c:36]1=[O:37]>C1CCOC1.CC(C)(C)[Mg]Cl>[CH:1]#[C:2][C@@:3]1([OH:4])[C@H:5]([OH:6])[C@@H:7]([CH2:8][O:9][P@@:10](=[O:11])([NH:12][C@@H:13]([CH3:14])[C:15](=[O:16])[O:17][CH:18]([CH3:19])[CH3:20])[O:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[O:28][C@H:29]1[n:30]1[cH:31][cH:32][c:33](=[O:34])[nH:35][c:36]1=[O:37] KPLKOOBPQQYUTM-PNHWDRBUSA-N.MIILDBHEJQLACD-ZJPIPACBSA-N>>NSYHIGOBFOALDE-HEFSGLBYSA-N 0.0 Unrecognized False stereospecific False [#7:2]-[P@;H0;D4;+0:1](-[#8:3])(=[O;D1;H0:4])-[O;H0;D2;+0:6]-[C:5]>>F-c1:c(-F):c(-F):c(-O-[P@;H0;D4;+0:1](-[#7:2])(-[#8:3])=[O;D1;H0:4]):c(-F):c:1-F.[C:5]-[OH;D1;+0:6] 70ca27531c9ecb4a271439f4fcbe4ae6f0ab39f6a8dda3ad447101a6e31f209b [C:11]1(=[O:12])[C@H:13]([OH:14])[C@@H:17]([OH:18])[C@H:15]([OH:16])[C@@H:19]([CH2:21][OH:22])[O:20]1.[CH3:1][C@@H:2]([CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[NH2:10]>CCN(C(C)C)C(C)C.CO.C[C@H](N)Cc1ccccc1.O=S(=O)(O)O>[CH3:1][C@@H:2]([CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)[NH:10][C:11](=[O:12])[C@H:13]([OH:14])[C@@H:15]([OH:16])[C@H:17]([OH:18])[C@H:19]([OH:20])[CH2:21][OH:22] KWTSXDURSIMDCE-QMMMGPOBSA-N.PHOQVHQSTUBQQK-SQOUGZDYSA-N>>PFXDJBDZVIIINF-QIWZIZFYSA-N 0.0 Unrecognized False stereospecific False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C@@H;D3;+0:8](-[O;D1;H1:9])-[C@H;D3;+0:10](-[O;D1;H1:11])-[C@@H;D3;+0:6](-[O;D1;H1:7])-[C;H0;D3;+0:4](=[O;D1;H0:5])-[NH;D2;+0:13]-[C:12]>>[C:1]-[C@H;D3;+0:2]1-[O;H0;D2;+0:3]-[C;H0;D3;+0:4](=[O;D1;H0:5])-[C@H;D3;+0:6](-[O;D1;H1:7])-[C@@H;D3;+0:8](-[O;D1;H1:9])-[C@@H;D3;+0:10]-1-[O;D1;H1:11].[C:12]-[NH2;D1;+0:13] bcf1598633efc6c28029d5a538569ff5611ddcf33f817e86bc5f8665542918ce [CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[c:6]4[c:7]([cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14]4)[CH2:15][CH2:16][C@H:17]3[C@@H:18]1[CH2:19]/[C:20](=[CH:21]\[c:22]1[cH:23][c:24]([C:25]([NH2:26])=[O:27])[cH:28][cH:29][cH:30]1)[C:31]2=[O:32]>CO.ClCCl.B.[Na+]>[CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[c:6]4[c:7]([cH:8][c:9]([C:10](=[O:11])[OH:12])[cH:13][cH:14]4)[CH2:15][CH2:16][C@H:17]3[C@@H:18]1[CH2:19]/[C:20](=[CH:21]\[c:22]1[cH:23][c:24]([C:25]([NH2:26])=[O:27])[cH:28][cH:29][cH:30]1)[C@@H:31]2[OH:32] DUYFKSXGCRHNHM-FAGHYMSDSA-N>>VDAPHQMCRJYWFB-JXDAXUTJSA-N 0.0 Unrecognized False substrate controlled False [C:1]/[C:2](=[C:3]\[c:4])-[C@@H;D3;+0:5](-[C:6])-[OH;D1;+0:7]>>[C:1]/[C:2](=[C:3]\[c:4])-[C;H0;D3;+0:5](-[C:6])=[O;H0;D1;+0:7] a96747deef5433ee30004dc643407e181c9f2b0e5450fffe64ff9b718d9a41b0 [CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[c:6]4[cH:7][cH:8][c:9]([B:10]([OH:11])[OH:12])[cH:13][c:14]4[CH2:15][CH2:16][C@H:17]3[C@@H:18]1[CH2:19]/[C:20](=[CH:21]\[c:22]1[cH:23][c:24]([C:25]([NH2:26])=[O:27])[cH:28][cH:29][cH:30]1)[C:31]2=[O:32]>CO.B.[Na+]>[CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[c:6]4[cH:7][cH:8][c:9]([B:10]([OH:11])[OH:12])[cH:13][c:14]4[CH2:15][CH2:16][C@H:17]3[C@@H:18]1[CH2:19]/[C:20](=[CH:21]\[c:22]1[cH:23][c:24]([C:25]([NH2:26])=[O:27])[cH:28][cH:29][cH:30]1)[C@@H:31]2[OH:32] TXWVZSDDEGUWAI-RCNBVKRXSA-N>>OUNPIVAHRYIGKM-CHFORDRWSA-N 0.0 Unrecognized False substrate controlled False [C:1]/[C:2](=[C:3]\[c:4])-[C@@H;D3;+0:5](-[C:6])-[OH;D1;+0:7]>>[C:1]/[C:2](=[C:3]\[c:4])-[C;H0;D3;+0:5](-[C:6])=[O;H0;D1;+0:7] a96747deef5433ee30004dc643407e181c9f2b0e5450fffe64ff9b718d9a41b0 [CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[c:6]4[c:7]([cH:8][c:9]([C:10]([NH2:11])=[O:12])[cH:13][cH:14]4)[CH2:15][CH2:16][C@H:17]3[C@@H:18]1[CH2:19]/[C:20](=[CH:21]\[c:22]1[cH:23][c:24]([C:25]([NH2:26])=[O:27])[cH:28][cH:29][cH:30]1)[C:31]2=[O:32]>CO.ClCCl.B.[Na+]>[CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[c:6]4[c:7]([cH:8][c:9]([C:10]([NH2:11])=[O:12])[cH:13][cH:14]4)[CH2:15][CH2:16][C@H:17]3[C@@H:18]1[CH2:19]/[C:20](=[CH:21]\[c:22]1[cH:23][c:24]([C:25]([NH2:26])=[O:27])[cH:28][cH:29][cH:30]1)[C@@H:31]2[OH:32] VTVJNKYXFYLTPD-FAGHYMSDSA-N>>PEKPJLRSYQHDFZ-JXDAXUTJSA-N 0.0 Unrecognized False substrate controlled False [C:1]/[C:2](=[C:3]\[c:4])-[C@@H;D3;+0:5](-[C:6])-[OH;D1;+0:7]>>[C:1]/[C:2](=[C:3]\[c:4])-[C;H0;D3;+0:5](-[C:6])=[O;H0;D1;+0:7] a96747deef5433ee30004dc643407e181c9f2b0e5450fffe64ff9b718d9a41b0 O=C(O[OH:7])c1cccc(Cl)c1.[O:1]=[C:2]([CH2:3][C@@H:4]1[CH2:5][CH:6]=[CH:8][CH2:9][CH2:10][C:11](=[O:12])[O:13][C@H:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:21][NH:22][C:23]1=[O:24])[NH:25][CH2:26][c:27]1[cH:28][cH:29][c:30]([Cl:31])[cH:32][cH:33]1>ClCCl>[O:1]=[C:2]([CH2:3][C@@H:4]1[CH2:5][C@H:6]2[O:7][C@@H:8]2[CH2:9][CH2:10][C:11](=[O:12])[O:13][C@H:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:21][NH:22][C:23]1=[O:24])[NH:25][CH2:26][c:27]1[cH:28][cH:29][c:30]([Cl:31])[cH:32][cH:33]1 DRDSZZCLAHXSAE-UNMCSNQZSA-N.NHQDETIJWKXCTC-UHFFFAOYSA-N>>ZWIGCEKASRXWCU-PDGJWGCVSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3]1-[O;H0;D2;+0:1]-[C@@H;D3;+0:4]-1-[C:5]>>Cl-c1:c:c:c:c(-C(=O)-O-[OH;D1;+0:1]):c:1.[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5] 9d876aa8283c066b4709ef02248dd68f0bd08d45a97be5e10a2758d1966a263f C[N+]1([O-:9])CCOCC1.O=[Os](=O)(=O)=[O:7].[O:1]=[C:2]([CH2:3][C@@H:4]1[CH2:5][CH:6]=[CH:8][CH2:10][CH2:11][C:12](=[O:13])[O:14][C@H:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22][NH:23][C:24]1=[O:25])[NH:26][CH2:27][c:28]1[cH:29][cH:30][c:31]([Cl:32])[cH:33][cH:34]1>C1CCOC1.CC(C)(C)O.O>[O:1]=[C:2]([CH2:3][C@@H:4]1[CH2:5][C@@H:6]([OH:7])[C@H:8]([OH:9])[CH2:10][CH2:11][C:12](=[O:13])[O:14][C@H:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22][NH:23][C:24]1=[O:25])[NH:26][CH2:27][c:28]1[cH:29][cH:30][c:31]([Cl:32])[cH:33][cH:34]1 DRDSZZCLAHXSAE-UNMCSNQZSA-N.LFTLOKWAGJYHHR-UHFFFAOYSA-N.VUVGYHUDAICLFK-UHFFFAOYSA-N>>JNBPHJITZXHELO-PDGJWGCVSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@@H;D3;+0:4](-[OH;D1;+0:1])-[C@@H;D3;+0:5](-[C:6])-[OH;D1;+0:2]>>C-[N+]1(-[O-;H0;D1:1])-C-C-O-C-C-1.O=[Os](=O)(=O)=[O;H0;D1;+0:2].[C:3]-[CH;D2;+0:4]=[CH;D2;+0:5]-[C:6] 8f4f017de355002eded7aefe0a9c087adb518bfe5fe0683a429d24d479db667e C[N+]1([O-:9])CCOCC1.[O:1]=[C:2]([CH2:3][C@@H:4]1[CH2:5][CH:6]=[CH:8][CH2:10][CH2:11][C:12](=[O:13])[NH:14][C@H:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22][O:23][C:24]1=[O:25])[NH:26][CH2:27][c:28]1[cH:29][cH:30][c:31]([Cl:32])[cH:33][cH:34]1.[OH2:7]>C1CCOC1.CC(C)(C)O.O=[Os](=O)(=O)=O>[O:1]=[C:2]([CH2:3][C@@H:4]1[CH2:5][C@H:6]([OH:7])[C@@H:8]([OH:9])[CH2:10][CH2:11][C:12](=[O:13])[NH:14][C@H:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22][O:23][C:24]1=[O:25])[NH:26][CH2:27][c:28]1[cH:29][cH:30][c:31]([Cl:32])[cH:33][cH:34]1 KADPCUBFZUHNFS-UNMCSNQZSA-N.LFTLOKWAGJYHHR-UHFFFAOYSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>TWJJXIBALUUZBV-QESAQDPVSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3](-[OH;D1;+0:1])-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>C-[N+]1(-[O-;H0;D1:1])-C-C-O-C-C-1.[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5].[OH2;D0;+0:6] c24174bd26640e87b752fe3cea92b29cbb5bb94acf2584663ab0779941d2733b CC(C)(C)[OH:7].C[N+]1([O-:9])CCOCC1.[O:1]=[C:2]([CH2:3][C@@H:4]1[CH2:5][CH:6]=[CH:8][CH2:10][CH2:11][C:12](=[O:13])[O:14][CH2:15][C@@H:16]2[CH2:17][CH2:18][CH2:19][N:20]2[C:21]1=[O:22])[NH:23][CH2:24][c:25]1[cH:26][cH:27][c:28]([Cl:29])[cH:30][cH:31]1>C1CCOC1.O.O=S(O)O.O=[Os](=O)(=O)=O.[Na+].[Na+]>[O:1]=[C:2]([CH2:3][C@@H:4]1[CH2:5][C@H:6]([OH:7])[C@@H:8]([OH:9])[CH2:10][CH2:11][C:12](=[O:13])[O:14][CH2:15][C@@H:16]2[CH2:17][CH2:18][CH2:19][N:20]2[C:21]1=[O:22])[NH:23][CH2:24][c:25]1[cH:26][cH:27][c:28]([Cl:29])[cH:30][cH:31]1 DKGAVHZHDRPRBM-UHFFFAOYSA-N.LFTLOKWAGJYHHR-UHFFFAOYSA-N.RGHAJILHAYNMQS-HKUYNNGSSA-N>>SUOWFBDUHCRZDA-WNHJNPCNSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@H;D3;+0:4](-[OH;D1;+0:2])-[C@H;D3;+0:5](-[C:6])-[OH;D1;+0:1]>>C-C(-C)(-C)-[OH;D1;+0:1].C-[N+]1(-[O-;H0;D1:2])-C-C-O-C-C-1.[C:3]-[CH;D2;+0:4]=[CH;D2;+0:5]-[C:6] 5d633a3688c32380600ad5a615c0050336f81cb15dd43429dbaca84f986df452 C[N+]1([O-:7])CCOCC1.[CH3:1][C@@H:2]1[CH2:3][CH:4]=[CH:6][CH2:8][C:9]([F:10])([F:11])[C:12](=[O:13])[NH:14][C@H:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22][O:23][C:24]1=[O:25].[OH2:5]>C1CCOC1.CC(C)(C)O.CCOC(C)=O.O.O=S(O)O.O=[Os](=O)(=O)=O.[Na+].[Na+]>[CH3:1][C@@H:2]1[CH2:3][C@H:4]([OH:5])[C@@H:6]([OH:7])[CH2:8][C:9]([F:10])([F:11])[C:12](=[O:13])[NH:14][C@H:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22][O:23][C:24]1=[O:25] HPQYHIIFRQWTIZ-OCCSQVGLSA-N.LFTLOKWAGJYHHR-UHFFFAOYSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>VOUJQMMENRZFRF-SAXRGWBVSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3](-[OH;D1;+0:6])-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:1]>>C-[N+]1(-[O-;H0;D1:1])-C-C-O-C-C-1.[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5].[OH2;D0;+0:6] c24174bd26640e87b752fe3cea92b29cbb5bb94acf2584663ab0779941d2733b C[N+]1([O-:16])CCOCC1.O=[Os](=O)(=O)=[O:18].[CH3:1][C@H:2]1[C@@H:3]([c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9]2)[O:10][C:11](=[O:12])[CH2:13][CH2:14][CH:15]=[CH:17][CH2:19][C@@H:20]([CH2:21][C:22](=[O:23])[NH:24][CH2:25][c:26]2[cH:27][cH:28][c:29]([Cl:30])[cH:31][cH:32]2)[C:33](=[O:34])[N:35]1[CH3:36]>C1CCOC1.CC(C)(C)O.O.O=S(O)O.[Na+].[Na+]>[CH3:1][C@H:2]1[C@@H:3]([c:4]2[cH:5][cH:6][cH:7][cH:8][cH:9]2)[O:10][C:11](=[O:12])[CH2:13][CH2:14][C@H:15]([OH:16])[C@@H:17]([OH:18])[CH2:19][C@@H:20]([CH2:21][C:22](=[O:23])[NH:24][CH2:25][c:26]2[cH:27][cH:28][c:29]([Cl:30])[cH:31][cH:32]2)[C:33](=[O:34])[N:35]1[CH3:36] LFTLOKWAGJYHHR-UHFFFAOYSA-N.VHDCLXBXMSVMBZ-NHZRIVAWSA-N.VUVGYHUDAICLFK-UHFFFAOYSA-N>>OARIKSRUWRBYON-FORSGOBXSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@H;D3;+0:4](-[OH;D1;+0:1])-[C@H;D3;+0:5](-[C:6])-[OH;D1;+0:2]>>C-[N+]1(-[O-;H0;D1:1])-C-C-O-C-C-1.O=[Os](=O)(=O)=[O;H0;D1;+0:2].[C:3]-[CH;D2;+0:4]=[CH;D2;+0:5]-[C:6] 8f4f017de355002eded7aefe0a9c087adb518bfe5fe0683a429d24d479db667e C[N+]1([O-:9])CCOCC1.O=[Os](=O)(=O)=[O:7].[O:1]=[C:2]([CH2:3][C@@H:4]1[CH2:5][CH:6]=[CH:8][CH2:10][CH2:11][C:12](=[O:13])[O:14][C@H:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22][NH:23][C:24]1=[O:25])[NH:26][CH2:27][c:28]1[cH:29][cH:30][cH:31][s:32]1>C1CCOC1.CC(C)(C)O.O.O=S(O)O.[Na+].[Na+]>[O:1]=[C:2]([CH2:3][C@@H:4]1[CH2:5][C@H:6]([OH:7])[C@@H:8]([OH:9])[CH2:10][CH2:11][C:12](=[O:13])[O:14][C@H:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22][NH:23][C:24]1=[O:25])[NH:26][CH2:27][c:28]1[cH:29][cH:30][cH:31][s:32]1 HTZISFKLLGLBDK-ICSRJNTNSA-N.LFTLOKWAGJYHHR-UHFFFAOYSA-N.VUVGYHUDAICLFK-UHFFFAOYSA-N>>VWPNXKRQNRHWFV-LEAZDLGRSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@H;D3;+0:4](-[OH;D1;+0:1])-[C@H;D3;+0:5](-[C:6])-[OH;D1;+0:2]>>C-[N+]1(-[O-;H0;D1:1])-C-C-O-C-C-1.O=[Os](=O)(=O)=[O;H0;D1;+0:2].[C:3]-[CH;D2;+0:4]=[CH;D2;+0:5]-[C:6] 8f4f017de355002eded7aefe0a9c087adb518bfe5fe0683a429d24d479db667e C[N+]1([O-:7])CCOCC1.[CH3:1][C@@H:2]1[CH2:3][CH:4]=[CH:6][CH2:8][CH2:9][C:10](=[O:11])[NH:12][C@H:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:20][O:21][C:22]1=[O:23].[OH2:5]>C1CCOC1.CC(C)(C)O.O=[Os](=O)(=O)=O>[CH3:1][C@@H:2]1[CH2:3][C@H:4]([OH:5])[C@@H:6]([OH:7])[CH2:8][CH2:9][C:10](=[O:11])[NH:12][C@H:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:20][O:21][C:22]1=[O:23] AFIXJTADPDHGEE-HIFRSBDPSA-N.LFTLOKWAGJYHHR-UHFFFAOYSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>JUZIHJLPXFHUSB-UNQGMJICSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3](-[OH;D1;+0:6])-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:1]>>C-[N+]1(-[O-;H0;D1:1])-C-C-O-C-C-1.[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5].[OH2;D0;+0:6] c24174bd26640e87b752fe3cea92b29cbb5bb94acf2584663ab0779941d2733b C[N+]1([O-:7])CCOCC1.O=[Os](=O)(=O)=[O:9].[O:1]=[C:2]([CH2:3][C@@H:4]1[CH2:5][CH:6]=[CH:8][CH2:10][CH2:11][C:12](=[O:13])[O:14][C@H:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22][NH:23][C:24]1=[O:25])[NH:26][C@@H:27]1[CH2:28][CH2:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]21>C1CCOC1.CC(C)(C)O.CCOC(C)=O.O.O=S(O)O.[Na+].[Na+]>[O:1]=[C:2]([CH2:3][C@@H:4]1[CH2:5][C@H:6]([OH:7])[C@@H:8]([OH:9])[CH2:10][CH2:11][C:12](=[O:13])[O:14][C@H:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22][NH:23][C:24]1=[O:25])[NH:26][C@@H:27]1[CH2:28][CH2:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]21 LFTLOKWAGJYHHR-UHFFFAOYSA-N.VUVGYHUDAICLFK-UHFFFAOYSA-N.XEGQBYHIOAMBGV-CAOCKLPOSA-N>>NPAVMYYWVTWRGK-JQZXIOIQSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@H;D3;+0:4](-[OH;D1;+0:2])-[C@H;D3;+0:5](-[C:6])-[OH;D1;+0:1]>>C-[N+]1(-[O-;H0;D1:1])-C-C-O-C-C-1.O=[Os](=O)(=O)=[O;H0;D1;+0:2].[C:3]-[CH;D2;+0:4]=[CH;D2;+0:5]-[C:6] 8f4f017de355002eded7aefe0a9c087adb518bfe5fe0683a429d24d479db667e O=C(O[OH:7])c1cccc(Cl)c1.[O:1]=[C:2]([CH2:3][C@@H:4]1[CH2:5][CH:6]=[CH:8][CH2:9][CH2:10][C:11](=[O:12])[O:13][C@H:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:21][NH:22][C:23]1=[O:24])[NH:25][CH2:26][c:27]1[cH:28][cH:29][c:30]([Cl:31])[cH:32][cH:33]1>ClCCl>[O:1]=[C:2]([CH2:3][C@@H:4]1[CH2:5][C@@H:6]2[O:7][C@H:8]2[CH2:9][CH2:10][C:11](=[O:12])[O:13][C@H:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:21][NH:22][C:23]1=[O:24])[NH:25][CH2:26][c:27]1[cH:28][cH:29][c:30]([Cl:31])[cH:32][cH:33]1 DRDSZZCLAHXSAE-UNMCSNQZSA-N.NHQDETIJWKXCTC-UHFFFAOYSA-N>>ZWIGCEKASRXWCU-QESAQDPVSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:3]1-[O;H0;D2;+0:1]-[C@H;D3;+0:4]-1-[C:5]>>Cl-c1:c:c:c:c(-C(=O)-O-[OH;D1;+0:1]):c:1.[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5] 9d876aa8283c066b4709ef02248dd68f0bd08d45a97be5e10a2758d1966a263f C[N+]1([O-:7])CCOCC1.O=[Os](=O)(=O)=[O:9].[O:1]=[C:2]([CH2:3][C@@H:4]1[CH2:5][CH:6]=[CH:8][CH2:10][CH2:11][C:12](=[O:13])[O:14][C@H:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22][NH:23][C:24]1=[O:25])[NH:26][CH2:27][c:28]1[cH:29][cH:30][c:31]([Cl:32])[cH:33][cH:34]1>C1CCOC1.CC(C)(C)O.CCOC(C)=O.O.O=S(O)O.[Na+].[Na+]>[O:1]=[C:2]([CH2:3][C@@H:4]1[CH2:5][C@H:6]([OH:7])[C@@H:8]([OH:9])[CH2:10][CH2:11][C:12](=[O:13])[O:14][C@H:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22][NH:23][C:24]1=[O:25])[NH:26][CH2:27][c:28]1[cH:29][cH:30][c:31]([Cl:32])[cH:33][cH:34]1 DRDSZZCLAHXSAE-UNMCSNQZSA-N.LFTLOKWAGJYHHR-UHFFFAOYSA-N.VUVGYHUDAICLFK-UHFFFAOYSA-N>>JNBPHJITZXHELO-QESAQDPVSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@H;D3;+0:4](-[OH;D1;+0:2])-[C@H;D3;+0:5](-[C:6])-[OH;D1;+0:1]>>C-[N+]1(-[O-;H0;D1:1])-C-C-O-C-C-1.O=[Os](=O)(=O)=[O;H0;D1;+0:2].[C:3]-[CH;D2;+0:4]=[CH;D2;+0:5]-[C:6] 8f4f017de355002eded7aefe0a9c087adb518bfe5fe0683a429d24d479db667e O=C(O[OH:7])c1cccc(Cl)c1.[O:1]=[C:2]([CH2:3][C@@H:4]1[CH2:5][CH:6]=[CH:8][CH2:9][CH2:10][C:11](=[O:12])[NH:13][C@H:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:21][O:22][C:23]1=[O:24])[NH:25][CH2:26][c:27]1[cH:28][cH:29][c:30]([Cl:31])[cH:32][cH:33]1>ClCCl.O=S(O)O.[Na+].[Na+]>[O:1]=[C:2]([CH2:3][C@@H:4]1[CH2:5][C@@H:6]2[O:7][C@H:8]2[CH2:9][CH2:10][C:11](=[O:12])[NH:13][C@H:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[CH2:21][O:22][C:23]1=[O:24])[NH:25][CH2:26][c:27]1[cH:28][cH:29][c:30]([Cl:31])[cH:32][cH:33]1 KADPCUBFZUHNFS-UNMCSNQZSA-N.NHQDETIJWKXCTC-UHFFFAOYSA-N>>DPVSGDCAEOXADF-QESAQDPVSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:3]1-[O;H0;D2;+0:1]-[C@H;D3;+0:4]-1-[C:5]>>Cl-c1:c:c:c:c(-C(=O)-O-[OH;D1;+0:1]):c:1.[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5] 9d876aa8283c066b4709ef02248dd68f0bd08d45a97be5e10a2758d1966a263f I[CH2:3][CH:2]=[CH2:1].[CH2:4]1[CH2:5][C@@H:6]([C:7](=[O:8])[O:9][CH3:10])[N:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[C:19]1=[O:20]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH2:1]=[CH:2][CH2:3][C@H:4]1[CH2:5][C@@H:6]([C:7](=[O:8])[O:9][CH3:10])[N:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[C:19]1=[O:20] FNTAOUUEQHKLIU-ZETCQYMHSA-N.HFEHLDPGIKPNKL-UHFFFAOYSA-N>>LAKCZWXMQPWQJK-UWVGGRQHSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3]>>I-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3].[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 3524875e62a2e9677016fc603ae9e216221f84c774031a133a32514c2dcfcd54 Cc1ccc(S(=O)(=O)O[C@H:28]2[CH2:29][CH2:30][O:31][CH2:32]2)cc1.[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:14][C@@H:15]1[CH2:16][CH2:17][c:18]3[c:19]([O:20][c:21]4[cH:22][c:23]([C:24]#[N:25])[c:26]([OH:27])[cH:33][cH:34]4)[cH:35][cH:36][c:37]([F:38])[c:39]31)[cH:40]2>>[CH3:1][O:2][C:3](=[O:4])[CH2:5][C@@H:6]1[CH2:7][O:8][c:9]2[c:10]1[cH:11][cH:12][c:13]([O:14][C@@H:15]1[CH2:16][CH2:17][c:18]3[c:19]([O:20][c:21]4[cH:22][c:23]([C:24]#[N:25])[c:26]([O:27][C@@H:28]5[CH2:29][CH2:30][O:31][CH2:32]5)[cH:33][cH:34]4)[cH:35][cH:36][c:37]([F:38])[c:39]31)[cH:40]2 GPLKLPAJUGBCDU-VOIUYBSRSA-N.WWCNXHYRAKUQDB-JTQLQIEISA-N>>IMOWHXJONQNDSR-RPAZBDDQSA-N 0.0 Unrecognized False stereospecific False [#8:4]-[C:3]-[C@@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:5]-[c:6]>>C-c1:c:c:c(-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#8:4]):c:c:1.[OH;D1;+0:5]-[c:6] a4d1d613b0d15abfbb039e765e0e1e8310824f85de5c08ea12fecaafcee8d1a9 [O:1]=[c:2]1[cH:3][cH:4][n:5]2[c:32]([n:34]1)[O:33][C@@H:13]1[C@H:6]2[O:7][C@H:8]([CH2:9][OH:10])[C@H:11]1[OH:12].[OH:14][CH2:15][c:16]1[cH:17][cH:18][c:19]2[cH:20][cH:21][c:22]3[cH:23][cH:24][cH:25][c:26]4[cH:27][cH:28][c:29]1[c:30]2[c:31]34>C1CCOC1.CS(C)=O.O=C(O)O.[Na+]>[O:1]=[c:2]1[cH:3][cH:4][n:5]([C@@H:6]2[O:7][C@H:8]([CH2:9][OH:10])[C@@H:11]([OH:12])[C@H:13]2[O:14][CH2:15][c:16]2[cH:17][cH:18][c:19]3[cH:20][cH:21][c:22]4[cH:23][cH:24][cH:25][c:26]5[cH:27][cH:28][c:29]2[c:30]3[c:31]45)[c:32](=[O:33])[nH:34]1 NGDMLQSGYUCLDC-UHFFFAOYSA-N.UUGITDASWNOAGG-CCXZUQQUSA-N>>GNTPYNZFYPCIAN-NTMFSWBNSA-N 0.0 Unrecognized False stereospecific False [#8:1]-[C:2](-[#7;a:3]:[c;H0;D3;+0:4](=[O;H0;D1;+0:7]):[nH;D2;+0:5]:[c:6])-[C@@H;D3;+0:8](-[C:9])-[O;H0;D2;+0:11]-[C:10]>>[#8:1]-[C:2]1-[#7;a:3]:[c;H0;D3;+0:4](:[n;H0;D2;+0:5]:[c:6])-[O;H0;D2;+0:7]-[C@H;D3;+0:8]-1-[C:9].[C:10]-[OH;D1;+0:11] 0e5b5316728b7b81a418cdf5b4ac5188ea9d168a0d0f43fb6241b09403ec4dc7 [O:1]=[c:2]1[cH:3][cH:4][n:5]2[c:40]([n:42]1)[O:41][C@@H:13]1[C@H:6]2[O:7][C@H:8]([CH2:9][OH:10])[C@H:11]1[OH:12].[OH:14][CH2:15][c:16]1[cH:17][c:18]2[cH:19][cH:20][c:21]3[cH:22][cH:23][c:24]4[cH:25][cH:26][c:27]5[cH:28][cH:29][c:30]6[cH:31][cH:32][c:33]1[c:34]1[c:35]6[c:36]5[c:37]4[c:38]3[c:39]21>C1CCOC1.CS(C)=O.O.O=C(O)O.[Na+]>[O:1]=[c:2]1[cH:3][cH:4][n:5]([C@@H:6]2[O:7][C@H:8]([CH2:9][OH:10])[C@@H:11]([OH:12])[C@H:13]2[O:14][CH2:15][c:16]2[cH:17][c:18]3[cH:19][cH:20][c:21]4[cH:22][cH:23][c:24]5[cH:25][cH:26][c:27]6[cH:28][cH:29][c:30]7[cH:31][cH:32][c:33]2[c:34]2[c:35]7[c:36]6[c:37]5[c:38]4[c:39]32)[c:40](=[O:41])[nH:42]1 UUGITDASWNOAGG-CCXZUQQUSA-N.VBRUUGPTVCYGFB-UHFFFAOYSA-N>>OERGQNGJRSPFSB-IAINETDOSA-N 0.0 Unrecognized False stereospecific False [#8:1]-[C:2](-[#7;a:3]:[c;H0;D3;+0:4](=[O;H0;D1;+0:7]):[nH;D2;+0:5]:[c:6])-[C@@H;D3;+0:8](-[C:9])-[O;H0;D2;+0:11]-[C:10]>>[#8:1]-[C:2]1-[#7;a:3]:[c;H0;D3;+0:4](:[n;H0;D2;+0:5]:[c:6])-[O;H0;D2;+0:7]-[C@H;D3;+0:8]-1-[C:9].[C:10]-[OH;D1;+0:11] 0e5b5316728b7b81a418cdf5b4ac5188ea9d168a0d0f43fb6241b09403ec4dc7 [C@H:15]12[C@H:16]([OH:17])[C@@H:18]([CH2:19][OH:20])[O:21][C@H:22]1[n:23]1[cH:24][cH:25][c:26](=[O:27])[n:28][c:29]1[O:30]2.[CH3:1][C:2]([CH3:3])([CH3:4])[CH2:5][c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]3[c:12]([CH2:13][OH:14])[cH:31][cH:32][c:33]4[cH:34][cH:35][c:36]([cH:37]1)[c:38]2[c:39]34>C1CCOC1.CS(C)=O.O=C(O)O.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[CH2:5][c:6]1[cH:7][c:8]2[cH:9][cH:10][c:11]3[c:12]([CH2:13][O:14][C@@H:15]4[C@H:16]([OH:17])[C@@H:18]([CH2:19][OH:20])[O:21][C@H:22]4[n:23]4[cH:24][cH:25][c:26](=[O:27])[nH:28][c:29]4=[O:30])[cH:31][cH:32][c:33]4[cH:34][cH:35][c:36]([cH:37]1)[c:38]2[c:39]34 UUGITDASWNOAGG-CCXZUQQUSA-N.VDTNXIHHMJLVDS-UHFFFAOYSA-N>>XPANHMQPXVBBDE-JGZPXTCXSA-N 0.0 Unrecognized False stereospecific False [#8:1]-[C:2](-[#7;a:3]:[c;H0;D3;+0:4](=[O;H0;D1;+0:7]):[nH;D2;+0:5]:[c:6])-[C@@H;D3;+0:8](-[C:9])-[O;H0;D2;+0:11]-[C:10]>>[#8:1]-[C:2]1-[#7;a:3]:[c;H0;D3;+0:4](:[n;H0;D2;+0:5]:[c:6])-[O;H0;D2;+0:7]-[C@H;D3;+0:8]-1-[C:9].[C:10]-[OH;D1;+0:11] 0e5b5316728b7b81a418cdf5b4ac5188ea9d168a0d0f43fb6241b09403ec4dc7 [C@H:14]12[C@H:15]([OH:16])[C@@H:17]([CH2:18][OH:19])[O:20][C@H:21]1[n:22]1[cH:23][cH:24][c:25](=[O:26])[n:27][c:28]1[O:29]2.[CH3:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][cH:7][c:8]3[cH:9][cH:10][c:11]([CH2:12][OH:13])[c:30]4[cH:31][cH:32][c:33]1[c:34]2[c:35]34>C1CCOC1.CS(C)=O.O=C(O)O.[Na+]>[CH3:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][cH:7][c:8]3[cH:9][cH:10][c:11]([CH2:12][O:13][C@@H:14]4[C@H:15]([OH:16])[C@@H:17]([CH2:18][OH:19])[O:20][C@H:21]4[n:22]4[cH:23][cH:24][c:25](=[O:26])[nH:27][c:28]4=[O:29])[c:30]4[cH:31][cH:32][c:33]1[c:34]2[c:35]34 SAMJHQJOLQEUNW-UHFFFAOYSA-N.UUGITDASWNOAGG-CCXZUQQUSA-N>>UHKRWDIJSSUGMY-XTKIHQQCSA-N 0.0 Unrecognized False stereospecific False [#8:1]-[C:2](-[#7;a:3]:[c;H0;D3;+0:4](=[O;H0;D1;+0:7]):[nH;D2;+0:5]:[c:6])-[C@@H;D3;+0:8](-[C:9])-[O;H0;D2;+0:11]-[C:10]>>[#8:1]-[C:2]1-[#7;a:3]:[c;H0;D3;+0:4](:[n;H0;D2;+0:5]:[c:6])-[O;H0;D2;+0:7]-[C@H;D3;+0:8]-1-[C:9].[C:10]-[OH;D1;+0:11] 0e5b5316728b7b81a418cdf5b4ac5188ea9d168a0d0f43fb6241b09403ec4dc7 Br[CH2:3][CH:2]=[CH2:1].[CH2:4]([CH2:5][N:6]([CH2:7][CH:8]=[CH2:9])[C:10](=[O:11])[O:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[C:20](=[O:21])[N:22]1[C:23](=[O:24])[O:25][CH2:26][C@H:27]1[CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[CH2:1]=[CH:2][CH2:3][C@H:4]([CH2:5][N:6]([CH2:7][CH:8]=[CH2:9])[C:10](=[O:11])[O:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[C:20](=[O:21])[N:22]1[C:23](=[O:24])[O:25][CH2:26][C@H:27]1[CH2:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1 BHELZAPQIKSEDF-UHFFFAOYSA-N.GUQTUMCRPKNOJX-OAQYLSRUSA-N>>YGHSBAUSNJGXPZ-DNQXCXABSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@@H;D3;+0:7](-[C:8])-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3]>>Br-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3].[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 33ab82ef5c99f3e34387d3b6e363f0a79dd4e6af47e65d8e6c0b4cf419209900 CS(=O)(=O)O[C@@H:4]1[CH2:5][C@@H:6]([F:7])[CH2:8][N:9]([C:10](=[O:11])[O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:20]1.[N-:1]=[N+:2]=[N-:3]>CCOC(C)=O.CN1CCCC1=O.[Na+]>[N-:1]=[N+:2]=[N:3][C@H:4]1[CH2:5][C@@H:6]([F:7])[CH2:8][N:9]([C:10](=[O:11])[O:12][CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[CH2:20]1 AYXMWKSVZXFPGF-CHWSQXEVSA-N.IVRMZWNICZWHMI-UHFFFAOYSA-N>>YSBRLFRKCGDOAE-NEPJUHHUSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[N;H0;D2;+0:5]=[#7;+:6]=[N;-;D1;H0:7]>>C-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[N-;H0;D1:5]=[#7;+:6]=[N;-;D1;H0:7] cee6527eab5a54306a8d3e1cef9fc6df0aee5943199b78d40e3c41180b7edec1 [CH3:1][C:2]1([CH3:3])[C:4]([c:5]2[cH:6][cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][cH:13]2)=[CH:14][CH2:15][C@@:16]2([CH3:17])[C@H:18]1[CH2:19][CH2:20][C@:21]1([CH3:22])[C@@H:23]2[CH2:24][CH2:25][C@@H:26]2[C@H:27]3[C@H:28]([C:29]4([CH3:30])[CH2:31][CH2:32]4)[CH2:33][CH2:34][C@:35]3([NH2:36])[CH2:37][CH2:38][C@@:39]12[CH3:40]>CCOC(C)=O.[H][H].[Pd]>[CH3:1][C:2]1([CH3:3])[C@@H:4]([c:5]2[cH:6][cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][cH:13]2)[CH2:14][CH2:15][C@@:16]2([CH3:17])[C@H:18]1[CH2:19][CH2:20][C@:21]1([CH3:22])[C@@H:23]2[CH2:24][CH2:25][C@@H:26]2[C@H:27]3[C@H:28]([C:29]4([CH3:30])[CH2:31][CH2:32]4)[CH2:33][CH2:34][C@:35]3([NH2:36])[CH2:37][CH2:38][C@@:39]12[CH3:40] LJXCNECQMCYHQC-JAAZGEJRSA-N>>LPSGEDRJMBPRSD-XPPLNNMWSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[CH2;D2;+0:2]-[C@@H;D3;+0:3](-[C:4])-[c:5]>>[C:1]-[CH;D2;+0:2]=[C;H0;D3;+0:3](-[C:4])-[c:5] 2db666334a8ad7e273f0d120c9bd029d99d5e603236cdbe1286481909795cff7 [CH3:1][O:2][CH2:3][C@:4]12[CH2:5][CH2:6][C:7](=[O:8])[CH2:9][C@@H:10]1[CH2:11][CH2:12][C@H:13]1[C@@H:14]3[CH2:15][CH2:16][C:17](=[O:18])[C@@:19]3([CH3:20])[CH2:21][CH2:22][C@H:23]21>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.[K+]>[CH3:1][O:2][CH2:3][C@:4]12[CH2:5][CH2:6][C@@H:7]([OH:8])[CH2:9][C@@H:10]1[CH2:11][CH2:12][C@H:13]1[C@@H:14]3[CH2:15][CH2:16][C:17](=[O:18])[C@@:19]3([CH3:20])[CH2:21][CH2:22][C@H:23]21 DPBYAXHXHKTQJJ-KEPBYGSZSA-N>>RENTWRROPMQWFF-JIAGZLQYSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d CC(=O)O[C@@H:24]1[CH:23]=[CH:8][O:7][C@H:6]([CH2:5][O:4][C:2]([CH3:1])=[O:3])[C@H:25]1[O:26][C:27]([CH3:28])=[O:29].OB(O)[c:9]1[cH:10][cH:11][c:12]([NH:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[cH:21][cH:22]1>CC#N.CC(=O)O.CC(=O)O.ClCCl.[Pd+2]>[CH3:1][C:2](=[O:3])[O:4][CH2:5][C@H:6]1[O:7][C@H:8]([c:9]2[cH:10][cH:11][c:12]([NH:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[cH:21][cH:22]2)[CH:23]=[CH:24][C@@H:25]1[O:26][C:27]([CH3:28])=[O:29] LLPWGHLVUPBSLP-UTUOFQBUSA-N.UBVOLHQIEQVXGM-UHFFFAOYSA-N>>PQBRXPLUCNZHFU-GBESFXJTSA-N 0.0 Unrecognized False substrate controlled False [C;D1;H3:9]-[C:8](=[O;D1;H0:10])-[#8:7]-[C:6]1-[C:5]-[#8:4]-[C@H;D3;+0:3](-[c;H0;D3;+0:11](:[c:12]):[c:13])-[CH;D2;+0:2]=[CH;D2;+0:1]-1>>C-C(=O)-O-[C@@H;D3;+0:1]1-[CH;D2;+0:2]=[CH;D2;+0:3]-[#8:4]-[C:5]-[C:6]-1-[#8:7]-[C:8](-[C;D1;H3:9])=[O;D1;H0:10].O-B(-O)-[c;H0;D3;+0:11](:[c:12]):[c:13] 8f7fbd603ab8361a4cdf24fd9faaea6c1caa37e672d1ad774993ddae4634a914 CC(=O)O[C@@H:21]1[CH:20]=[CH:8][O:7][C@H:6]([CH2:5][O:4][C:2]([CH3:1])=[O:3])[C@H:22]1[O:23][C:24]([CH3:25])=[O:26].OB(O)[c:9]1[cH:10][c:11]2[cH:12][cH:13][c:14]([OH:15])[cH:16][c:17]2[cH:18][cH:19]1>CC#N.CC(=O)O[Pd]OC(C)=O>[CH3:1][C:2](=[O:3])[O:4][CH2:5][C@H:6]1[O:7][C@H:8]([c:9]2[cH:10][c:11]3[cH:12][cH:13][c:14]([OH:15])[cH:16][c:17]3[cH:18][cH:19]2)[CH:20]=[CH:21][C@@H:22]1[O:23][C:24]([CH3:25])=[O:26] LLPWGHLVUPBSLP-UTUOFQBUSA-N.SNJANQMHRGSHFN-UHFFFAOYSA-N>>HJYPXUCBVFTMKS-SLFFLAALSA-N 0.0 Unrecognized False substrate controlled False [C;D1;H3:9]-[C:8](=[O;D1;H0:10])-[#8:7]-[C:6]1-[C:5]-[#8:4]-[C@H;D3;+0:3](-[c;H0;D3;+0:11](:[c:12]):[c:13])-[CH;D2;+0:2]=[CH;D2;+0:1]-1>>C-C(=O)-O-[C@@H;D3;+0:1]1-[CH;D2;+0:2]=[CH;D2;+0:3]-[#8:4]-[C:5]-[C:6]-1-[#8:7]-[C:8](-[C;D1;H3:9])=[O;D1;H0:10].O-B(-O)-[c;H0;D3;+0:11](:[c:12]):[c:13] 8f7fbd603ab8361a4cdf24fd9faaea6c1caa37e672d1ad774993ddae4634a914 O[OH:16].[CH3:1][O:2][CH2:3][O:4][C@H:5]1[CH2:6][C@@H:7]2[CH2:8][CH2:9][C@H:10]3[C@@H:11]4[CH2:12][CH2:13][C:14](=[CH2:15])[C@@:17]4([CH3:18])[CH2:19][CH2:20][C@@H:21]3[C@@:22]2([CH3:23])[CH2:24][C@@H:25]1[O:26][CH3:27]>B1C2CCCC1CCC2.C1CCOC1.O.[Na+].O>[CH3:1][O:2][CH2:3][O:4][C@H:5]1[CH2:6][C@@H:7]2[CH2:8][CH2:9][C@H:10]3[C@@H:11]4[CH2:12][CH2:13][C@H:14]([CH2:15][OH:16])[C@@:17]4([CH3:18])[CH2:19][CH2:20][C@@H:21]3[C@@:22]2([CH3:23])[CH2:24][C@@H:25]1[O:26][CH3:27] MHAJPDPJQMAIIY-UHFFFAOYSA-N.ZSMPVQJFDALUBX-COGXALLJSA-N>>HYSGIQUWFOPPKX-VWNURKRSSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3](-[C:4])-[CH2;D2;+0:5]-[OH;D1;+0:1]>>O-[OH;D1;+0:1].[C:2]-[C;H0;D3;+0:3](-[C:4])=[CH2;D1;+0:5] fda4df044c8e11ac686dc6a0823d032e8b2c30bc0c97439d68c42247948c123e [CH3:1][O:2][CH2:3][O:4][C@H:5]1[CH2:6][CH2:7][C@:8]2([CH3:9])[C@H:10]3[CH2:11][CH2:12][C@:13]4([CH3:14])[C@@H:15]([CH2:16][O:17][CH2:18][c:19]5[cH:20][cH:21][cH:22][cH:23][cH:24]5)[CH2:25][CH2:26][C@H:27]4[C@@H:28]3[CH2:29][C:30](=[O:31])[C@H:32]2[CH2:33]1>C1CCOC1.CCOCC.O.[Al+3].[HH].[HH].[HH].[HH].[Li+].[Na+].O>[CH3:1][O:2][CH2:3][O:4][C@H:5]1[CH2:6][CH2:7][C@:8]2([CH3:9])[C@H:10]3[CH2:11][CH2:12][C@:13]4([CH3:14])[C@@H:15]([CH2:16][O:17][CH2:18][c:19]5[cH:20][cH:21][cH:22][cH:23][cH:24]5)[CH2:25][CH2:26][C@H:27]4[C@@H:28]3[CH2:29][C@@H:30]([OH:31])[C@H:32]2[CH2:33]1 BUNFSGIBCNIQBZ-RBUPACKSSA-N>>XJQCYUHTLYXEAK-NQMCCVRASA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH2:1]=[C:2]1[CH2:3][CH2:4][C@H:5]2[C@@H:6]3[CH2:7][CH2:8][C@H:9]4[CH2:10][C@H:11]([O:12][CH2:13][O:14][CH3:15])[CH2:16][CH2:17][C@:18]4([CH3:19])[C@H:20]3[C:21](=[O:22])[CH2:23][C@:24]12[CH3:25]>CCOCC.O.[Al+3].[HH].[HH].[HH].[HH].[Li+].[Na+].O>[CH2:1]=[C:2]1[CH2:3][CH2:4][C@H:5]2[C@@H:6]3[CH2:7][CH2:8][C@H:9]4[CH2:10][C@H:11]([O:12][CH2:13][O:14][CH3:15])[CH2:16][CH2:17][C@:18]4([CH3:19])[C@H:20]3[C@@H:21]([OH:22])[CH2:23][C@:24]12[CH3:25] SHFDEAADNMKTQT-SIRMXKIZSA-N>>RCVBJFKRYPSCNX-QJIXBYGTSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d O[OH:19].[CH3:1][O:2][CH2:3][O:4][C@@H:5]1[CH2:6][CH2:7][C@@:8]2([CH3:9])[C@@H:10]([CH2:11][CH2:12][C@H:13]3[C@@H:14]4[CH2:15][CH2:16][C:17](=[CH2:18])[C@@:20]4([CH3:21])[CH2:22][C@H:23]([O:24][CH3:25])[C@H:26]23)[CH2:27]1>B1C2CCCC1CCC2.C1CCOC1.O.[Na+].O>[CH3:1][O:2][CH2:3][O:4][C@@H:5]1[CH2:6][CH2:7][C@@:8]2([CH3:9])[C@@H:10]([CH2:11][CH2:12][C@H:13]3[C@@H:14]4[CH2:15][CH2:16][C@H:17]([CH2:18][OH:19])[C@@:20]4([CH3:21])[CH2:22][C@H:23]([O:24][CH3:25])[C@H:26]23)[CH2:27]1 MHAJPDPJQMAIIY-UHFFFAOYSA-N.SAENVRZVPMCZDI-QQIDZAGHSA-N>>CBOUPQUQPFEYHO-NGNVUHDHSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3](-[C:4])-[CH2;D2;+0:5]-[OH;D1;+0:1]>>O-[OH;D1;+0:1].[C:2]-[C;H0;D3;+0:3](-[C:4])=[CH2;D1;+0:5] fda4df044c8e11ac686dc6a0823d032e8b2c30bc0c97439d68c42247948c123e O[OH:21].[CH3:1][O:2][CH2:3][O:4][C@@H:5]1[CH2:6][CH2:7][C@@:8]2([CH2:9][O:10][CH3:11])[C@@H:12]([CH2:13][CH2:14][C@H:15]3[C@@H:16]4[CH2:17][CH2:18][C:19](=[CH2:20])[C@@:22]4([CH3:23])[CH2:24][CH2:25][C@H:26]23)[CH2:27]1>B1C2CCCC1CCC2.C1CCOC1.O.[Na+].O>[CH3:1][O:2][CH2:3][O:4][C@@H:5]1[CH2:6][CH2:7][C@@:8]2([CH2:9][O:10][CH3:11])[C@@H:12]([CH2:13][CH2:14][C@H:15]3[C@@H:16]4[CH2:17][CH2:18][C@H:19]([CH2:20][OH:21])[C@@:22]4([CH3:23])[CH2:24][CH2:25][C@H:26]23)[CH2:27]1 MHAJPDPJQMAIIY-UHFFFAOYSA-N.UEZVWKBNFPWGEV-OCOWLNLTSA-N>>CRAGJZLQAKAPRS-OQRNNYBZSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3](-[C:4])-[CH2;D2;+0:5]-[OH;D1;+0:1]>>O-[OH;D1;+0:1].[C:2]-[C;H0;D3;+0:3](-[C:4])=[CH2;D1;+0:5] fda4df044c8e11ac686dc6a0823d032e8b2c30bc0c97439d68c42247948c123e O[OH:19].[CH3:1][O:2][CH2:3][O:4][C@@H:5]1[CH2:6][CH2:7][C@@:8]2([CH3:9])[C@@H:10]([CH2:11][CH2:12][C@H:13]3[C@@H:14]4[CH2:15][CH2:16][C:17](=[CH2:18])[C@@:20]4([CH3:21])[CH2:22][CH2:23][C@H:24]23)[CH2:25]1>B.C1CCOC1.C1CCOC1.[Na+].O>[CH3:1][O:2][CH2:3][O:4][C@@H:5]1[CH2:6][CH2:7][C@@:8]2([CH3:9])[C@@H:10]([CH2:11][CH2:12][C@H:13]3[C@@H:14]4[CH2:15][CH2:16][C@H:17]([CH2:18][OH:19])[C@@:20]4([CH3:21])[CH2:22][CH2:23][C@H:24]23)[CH2:25]1 LFEDJCWETOKFPR-VUIPWDCGSA-N.MHAJPDPJQMAIIY-UHFFFAOYSA-N>>CJNDANOXOPNBBE-RZSKGSBASA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3](-[C:4])-[CH2;D2;+0:5]-[OH;D1;+0:1]>>O-[OH;D1;+0:1].[C:2]-[C;H0;D3;+0:3](-[C:4])=[CH2;D1;+0:5] fda4df044c8e11ac686dc6a0823d032e8b2c30bc0c97439d68c42247948c123e [CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[CH2:6][C@@H:7]4[CH2:8][C:9](=[O:10])[CH2:11][CH2:12][C@H:13]4[CH2:14][C@H:15]3[C@@H:16]1[CH2:17][CH2:18][C:19]2=[O:20]>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.OO.[K+].[Na+].O>[CH3:1][C@:2]12[CH2:3][CH2:4][C@@H:5]3[CH2:6][C@@H:7]4[CH2:8][C@@H:9]([OH:10])[CH2:11][CH2:12][C@H:13]4[CH2:14][C@H:15]3[C@@H:16]1[CH2:17][CH2:18][C:19]2=[O:20] QMVMBJFBEFYUMX-QYOHBFRYSA-N>>DQJVYCZAGOSOOZ-LJCQJWCWSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d I[CH3:1].[CH2:2]1[C:3](=[O:4])[CH2:5][C@@H:6]2[CH2:7][N:8]([C:9](=[O:10])[O:11][CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[CH2:19][C@H:20]12>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.Cl.[Li+].N>[CH3:1][C@H:2]1[C:3](=[O:4])[CH2:5][C@@H:6]2[CH2:7][N:8]([C:9](=[O:10])[O:11][CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[CH2:19][C@H:20]12 INQOMBQAUSQDDS-UHFFFAOYSA-N.UKDGMCVWUBALEW-BETUJISGSA-N>>BTKRKVGRXLPRCM-MRVWCRGKSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:3](-[CH3;D1;+0:1])-[C:4]=[O;D1;H0:5]>>I-[CH3;D1;+0:1].[C:2]-[CH2;D2;+0:3]-[C:4]=[O;D1;H0:5] 85f3a646db1700cf53c5252c538172623fbd09b9b1006f0e1dd891880f7e277c [CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]2[c:7]([c:8]([C@@H:9]3[CH2:10][CH2:11][C:12](=[O:13])[CH2:14]3)[cH:15][cH:16]1)[cH:17][cH:18][n:19]2[S:20](=[O:21])(=[O:22])[c:23]1[cH:24][cH:25][c:26]([CH3:27])[cH:28][cH:29]1>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.CCOC(C)=O.O.Cl.[Li+].N>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]2[c:7]([c:8]([C@@H:9]3[CH2:10][CH2:11][C@H:12]([OH:13])[CH2:14]3)[cH:15][cH:16]1)[cH:17][cH:18][n:19]2[S:20](=[O:21])(=[O:22])[c:23]1[cH:24][cH:25][c:26]([CH3:27])[cH:28][cH:29]1 WESDDBWLRGCSND-OAHLLOKOSA-N>>PAZWOUUAZLLURO-CVEARBPZSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][O:2][c:3]1[c:4]([O:5][CH3:6])[cH:7][c:8]([CH2:9][CH2:10][C:11](=[O:12])[c:13]2[cH:14][c:15]([O:16][CH2:17][CH2:18][N:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[cH:25][cH:26][cH:27]2)[cH:28][cH:29]1>C1CCOC1.CCCCCC.C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C>[CH3:1][O:2][c:3]1[c:4]([O:5][CH3:6])[cH:7][c:8]([CH2:9][CH2:10][C@@H:11]([OH:12])[c:13]2[cH:14][c:15]([O:16][CH2:17][CH2:18][N:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[cH:25][cH:26][cH:27]2)[cH:28][cH:29]1 PSCMDXKEQRUQRJ-UHFFFAOYSA-N>>VSKUXKQAKUKOHQ-OAQYLSRUSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][O:2][c:3]1[c:4]([O:5][CH3:6])[cH:7][c:8]([CH2:9][CH2:10][C:11](=[O:12])[c:13]2[cH:14][c:15]([O:16][CH2:17][CH2:18][N:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[cH:25][cH:26][cH:27]2)[cH:28][cH:29]1>C1CCOC1.CCCCCC.C[C@@H]1[C@@H](B(Cl)[C@H]2C[C@@H]3C[C@H]([C@@H]2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C>[CH3:1][O:2][c:3]1[c:4]([O:5][CH3:6])[cH:7][c:8]([CH2:9][CH2:10][C@@H:11]([OH:12])[c:13]2[cH:14][c:15]([O:16][CH2:17][CH2:18][N:19]3[CH2:20][CH2:21][O:22][CH2:23][CH2:24]3)[cH:25][cH:26][cH:27]2)[cH:28][cH:29]1 PSCMDXKEQRUQRJ-UHFFFAOYSA-N>>VSKUXKQAKUKOHQ-OAQYLSRUSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c O1[C@@H:3]([c:18]2[cH:19][c:20]([O:21][CH3:22])[cH:23][cH:24][cH:25]2)[CH2:4]1.[CH3:1][NH2:2].[NH:5]1[CH2:6][CH2:7][C@H:8]([O:9][Si:10]([CH3:11])([CH3:12])[C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:17]1>CCO.CS(=O)(=O)Cl.O>[CH3:1][NH:2][C@H:3]([CH2:4][N:5]1[CH2:6][CH2:7][C@H:8]([O:9][Si:10]([CH3:11])([CH3:12])[C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:17]1)[c:18]1[cH:19][c:20]([O:21][CH3:22])[cH:23][cH:24][cH:25]1 BAVYZALUXZFZLV-UHFFFAOYSA-N.IJUUWUSPXYGGKY-SECBINFHSA-N.SDLGKSBUCUJCRU-VIFPVBQESA-N>>CPKZMFBIAWFBDK-RBUKOAKNSA-N 0.0 Unrecognized False stereospecific False [C:11]-[N;H0;D3;+0:12](-[C:13])-[CH2;D2;+0:1]-[C@@H;D3;+0:2](-[NH;D2;+0:10]-[C;D1;H3:9])-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1>>O1-[CH2;D2;+0:1]-[C@@H;D3;+0:2]-1-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1.[C;D1;H3:9]-[NH2;D1;+0:10].[C:11]-[NH;D2;+0:12]-[C:13] c0bf7e1b60587317140f72d9a0758f9305d616c1504953b5f2d51307291019df O1[C@@H:3]([c:18]2[cH:19][c:20]([F:21])[cH:22][cH:23][cH:24]2)[CH2:4]1.[CH3:1][NH2:2].[NH:5]1[CH2:6][CH2:7][C@H:8]([O:9][Si:10]([CH3:11])([CH3:12])[C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:17]1>CCN(CC)CC.CCO.CCOCC.CS(=O)(=O)Cl.O>[CH3:1][NH:2][C@H:3]([CH2:4][N:5]1[CH2:6][CH2:7][C@H:8]([O:9][Si:10]([CH3:11])([CH3:12])[C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:17]1)[c:18]1[cH:19][c:20]([F:21])[cH:22][cH:23][cH:24]1 BAVYZALUXZFZLV-UHFFFAOYSA-N.HNBRZCKMGQHNJA-MRVPVSSYSA-N.SDLGKSBUCUJCRU-VIFPVBQESA-N>>NIDMQPMPSUMPHF-ZWKOTPCHSA-N 0.0 Unrecognized False stereospecific False [C:11]-[N;H0;D3;+0:12](-[C:13])-[CH2;D2;+0:1]-[C@@H;D3;+0:2](-[NH;D2;+0:10]-[C;D1;H3:9])-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1>>O1-[CH2;D2;+0:1]-[C@@H;D3;+0:2]-1-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1.[C;D1;H3:9]-[NH2;D1;+0:10].[C:11]-[NH;D2;+0:12]-[C:13] c0bf7e1b60587317140f72d9a0758f9305d616c1504953b5f2d51307291019df O1[C@@H:3]([c:18]2[cH:19][c:20]([O:21][CH:22]([F:23])[F:24])[cH:25][cH:26][cH:27]2)[CH2:4]1.[CH3:1][NH2:2].[NH:5]1[CH2:6][CH2:7][C@H:8]([O:9][Si:10]([CH3:11])([CH3:12])[C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:17]1>CCN(CC)CC.CCO.CS(=O)(=O)Cl>[CH3:1][NH:2][C@H:3]([CH2:4][N:5]1[CH2:6][CH2:7][C@H:8]([O:9][Si:10]([CH3:11])([CH3:12])[C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:17]1)[c:18]1[cH:19][c:20]([O:21][CH:22]([F:23])[F:24])[cH:25][cH:26][cH:27]1 BAVYZALUXZFZLV-UHFFFAOYSA-N.SDLGKSBUCUJCRU-VIFPVBQESA-N.XOVZKVOPPAPTDG-MRVPVSSYSA-N>>GGNRIKZMIWRGCD-ZWKOTPCHSA-N 0.0 Unrecognized False stereospecific False [C:11]-[N;H0;D3;+0:12](-[C:13])-[CH2;D2;+0:1]-[C@@H;D3;+0:2](-[NH;D2;+0:10]-[C;D1;H3:9])-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1>>O1-[CH2;D2;+0:1]-[C@@H;D3;+0:2]-1-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1.[C;D1;H3:9]-[NH2;D1;+0:10].[C:11]-[NH;D2;+0:12]-[C:13] c0bf7e1b60587317140f72d9a0758f9305d616c1504953b5f2d51307291019df [O:1]=[C:2]([CH2:3][Br:4])[c:5]1[cH:6][cH:7][c:8]([O:9][C:10]([F:11])([F:12])[F:13])[cH:14][cH:15]1>B.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CCN(CC)c1ccccc1.COC(C)(C)C>[OH:1][C@H:2]([CH2:3][Br:4])[c:5]1[cH:6][cH:7][c:8]([O:9][C:10]([F:11])([F:12])[F:13])[cH:14][cH:15]1 AOAGGWLQIILIIV-UHFFFAOYSA-N>>ZUJNWFLSKRUUFX-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 [CH3:1][C@H:2]1[CH2:3][CH2:4][C@@:5]2([O:6][CH2:7]1)[O:8][C@H:9]1[CH2:10][C@H:11]3[C@@H:12]4[CH2:13][CH:14]=[C:15]5[CH2:16][C@@H:17]([OH:18])[CH2:19][CH2:20][C@:21]5([CH3:22])[C@H:23]4[CH2:24][CH2:25][C@:26]3([CH3:27])[C@H:28]1[C@@H:29]2[CH3:30]>C.CO.[Pd]>[CH3:1][C@H:2]1[CH2:3][CH2:4][C@@:5]2([O:6][CH2:7]1)[O:8][C@H:9]1[CH2:10][C@H:11]3[C@@H:12]4[CH2:13][CH2:14][C@H:15]5[CH2:16][C@@H:17]([OH:18])[CH2:19][CH2:20][C@:21]5([CH3:22])[C@H:23]4[CH2:24][CH2:25][C@:26]3([CH3:27])[C@H:28]1[C@@H:29]2[CH3:30] WQLVFSAGQJTQCK-CAKNJAFZSA-N>>GMBQZIIUCVWOCD-PUHUBZITSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[CH2;D2;+0:2]-[C@@H;D3;+0:3](-[C:4])-[C:5]>>[C:1]-[CH;D2;+0:2]=[C;H0;D3;+0:3](-[C:4])-[C:5] 05675f9eecea9fed6ca08fc4581511e42ec4fea0ca77351e260a499df9546024 I[CH3:6].[CH3:1][O:2][c:3]1[c:4]([CH2:5][C:7](=[O:8])[N:9]2[C:10](=[O:11])[O:12][C@@H:13]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[C@H:20]2[CH3:21])[cH:22][c:23]([Br:24])[cH:25][cH:26]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[CH3:1][O:2][c:3]1[c:4]([C@@H:5]([CH3:6])[C:7](=[O:8])[N:9]2[C:10](=[O:11])[O:12][C@@H:13]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[C@H:20]2[CH3:21])[cH:22][c:23]([Br:24])[cH:25][cH:26]1 INQOMBQAUSQDDS-UHFFFAOYSA-N.WYJXYLQTXWBKAH-KZULUSFZSA-N>>BKCFADXYDPKFBL-SNUQEOBHSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[CH3;D1;+0:1])-[c:6]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[c:6] 4408f97d137a726e1ab3843c13949afd149d8ae22ca196aabdfd63f64c9b350a [CH3:1][O:2][C:3](=[O:4])[C@@H:5]1[CH2:6][C:7](=[O:8])[CH2:9][CH2:10][C@H:11]1[C:12](=[O:13])[O:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1>C1CCOC1.B.[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]1[CH2:6][C@H:7]([OH:8])[CH2:9][CH2:10][C@H:11]1[C:12](=[O:13])[O:14][CH2:15][c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1 VRSVGZUXASOGDO-ZIAGYGMSSA-N>>MFHDITUNOUNPNG-MGPQQGTHSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 CC(C)(C)[OH:3].CC(C)(C)[Si](C)(C)[O:5]/[C:4](=[CH:2]\[CH3:1])[c:6]1[cH:7][c:8]([Cl:9])[cH:10][cH:11][cH:12]1>CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1nnc(O[C@@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@@H]3CCN2C[C@@H]3CC)c2ccccc12)c1ccnc2ccc(OC)cc12.CS(N)(=O)=O.O.O=S(O)O.[Na+].[Na+]>[CH3:1][C@@H:2]([OH:3])[C:4](=[O:5])[c:6]1[cH:7][c:8]([Cl:9])[cH:10][cH:11][cH:12]1 DKGAVHZHDRPRBM-UHFFFAOYSA-N.FUWJCOIFTHDHNC-AUWJEWJLSA-N>>PRVHLTNNKRCHGO-ZCFIWIBFSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:6]-[C@@H;D3;+0:5](-[OH;D1;+0:1])-[C;H0;D3;+0:3](=[O;H0;D1;+0:2])-[c:4]>>C-C(-C)(-C)-[OH;D1;+0:1].C-C(-C)(-C)-[Si](-C)(-C)-[O;H0;D2;+0:2]/[C;H0;D3;+0:3](-[c:4])=[CH;D2;+0:5]\[C;D1;H3:6] 639909e83cb4bc481326b65a2a117a82e01722e0f9d21e7b9dd142eb141c2140 CC(C)(C)[OH:9].CC(C)(C)[Si](C)(C)[O:6]/[C:5]([c:4]1[cH:3][c:2]([CH3:1])[cH:12][cH:11][cH:10]1)=[CH:7]\[CH3:8]>CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1nnc(O[C@@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@@H]3CCN2C[C@@H]3CC)c2ccccc12)c1ccnc2ccc(OC)cc12.CS(N)(=O)=O.ClC(Cl)Cl.O>[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[C@@H:7]([CH3:8])[OH:9])[cH:10][cH:11][cH:12]1 DKGAVHZHDRPRBM-UHFFFAOYSA-N.QKWNTYLXMXDNCP-NVNXTCNLSA-N>>OMVQOLJSCKLZHL-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:6]-[C@@H;D3;+0:5](-[OH;D1;+0:1])-[C;H0;D3;+0:3](=[O;H0;D1;+0:2])-[c:4]>>C-C(-C)(-C)-[OH;D1;+0:1].C-C(-C)(-C)-[Si](-C)(-C)-[O;H0;D2;+0:2]/[C;H0;D3;+0:3](-[c:4])=[CH;D2;+0:5]\[C;D1;H3:6] 639909e83cb4bc481326b65a2a117a82e01722e0f9d21e7b9dd142eb141c2140 O[C@H:28]1[CH2:29][CH2:30][c:31]2[c:32]([C:33]([F:34])([F:35])[F:36])[cH:37][cH:38][cH:39][c:40]21.[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][n:8](-[c:9]2[cH:10][c:11]3[c:12]([cH:13][cH:14]2)[n:15]([CH3:16])[c:17](=[O:18])[n:19]3[CH2:20][C:21]([F:22])([F:23])[F:24])[c:25](=[O:26])[nH:27][c:41]1=[O:42]>C1CCOC1.CC(C)OC(=O)N=NC(=O)OC(C)C.CN(C)C=O.Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][n:8](-[c:9]2[cH:10][c:11]3[c:12]([cH:13][cH:14]2)[n:15]([CH3:16])[c:17](=[O:18])[n:19]3[CH2:20][C:21]([F:22])([F:23])[F:24])[c:25](=[O:26])[n:27]([C@@H:28]2[CH2:29][CH2:30][c:31]3[c:32]([C:33]([F:34])([F:35])[F:36])[cH:37][cH:38][cH:39][c:40]32)[c:41]1=[O:42] PLILBZLIOJRZBU-UHFFFAOYSA-N.WYRONQVMJMJUKG-VIFPVBQESA-N>>HXQTVDNUYREOQE-LJQANCHMSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[n;H0;D3;+0:6](:[c:7])-[C@H;D3;+0:1](-[C:2])-[c:3]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]:[nH;D2;+0:6]:[c:7] 5bbd056119f6393d3f09c4f1eb8120cf9dbef9d7ccf69627f11d995c800fd3e9 O[C@H:23]1[CH2:24][CH2:25][c:26]2[c:27]([C:28]([F:29])([F:30])[F:31])[cH:32][cH:33][cH:34][c:35]21.[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][n:8](-[c:9]2[cH:10][c:11]3[c:12]([cH:13][cH:14]2)[n:15]([CH3:16])[c:17](=[O:18])[s:19]3)[c:20](=[O:21])[nH:22][c:36]1=[O:37]>C1CCOC1.CC(C)OC(=O)N=NC(=O)OC(C)C.CN(C)C=O.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][n:8](-[c:9]2[cH:10][c:11]3[c:12]([cH:13][cH:14]2)[n:15]([CH3:16])[c:17](=[O:18])[s:19]3)[c:20](=[O:21])[n:22]([C@@H:23]2[CH2:24][CH2:25][c:26]3[c:27]([C:28]([F:29])([F:30])[F:31])[cH:32][cH:33][cH:34][c:35]32)[c:36]1=[O:37] KHDCEKRBPWYXLQ-UHFFFAOYSA-N.WYRONQVMJMJUKG-VIFPVBQESA-N>>XCGGDLUCESNSMC-GOSISDBHSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[n;H0;D3;+0:6](:[c:7])-[C@H;D3;+0:1](-[C:2])-[c:3]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]:[nH;D2;+0:6]:[c:7] 5bbd056119f6393d3f09c4f1eb8120cf9dbef9d7ccf69627f11d995c800fd3e9 O[C@H:25]1[CH2:26][CH2:27][c:28]2[c:29]([C:30]([F:31])([F:32])[F:33])[cH:34][cH:35][cH:36][c:37]21.[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][n:8](-[c:9]2[cH:10][c:11]3[c:12]([cH:13][c:14]2[F:15])[n:16]([CH3:17])[c:18](=[O:19])[n:20]3[CH3:21])[c:22](=[O:23])[nH:24][c:38]1=[O:39]>C1CCOC1.C1CCOC1.CC(C)OC(=O)N=NC(=O)OC(C)C.CN(C)C=O.Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][n:8](-[c:9]2[cH:10][c:11]3[c:12]([cH:13][c:14]2[F:15])[n:16]([CH3:17])[c:18](=[O:19])[n:20]3[CH3:21])[c:22](=[O:23])[n:24]([C@@H:25]2[CH2:26][CH2:27][c:28]3[c:29]([C:30]([F:31])([F:32])[F:33])[cH:34][cH:35][cH:36][c:37]32)[c:38]1=[O:39] IJXOQGXTAIRFJU-UHFFFAOYSA-N.WYRONQVMJMJUKG-VIFPVBQESA-N>>YDNDTIVISADNCX-GOSISDBHSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[n;H0;D3;+0:6](:[c:7])-[C@H;D3;+0:1](-[C:2])-[c:3]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]:[nH;D2;+0:6]:[c:7] 5bbd056119f6393d3f09c4f1eb8120cf9dbef9d7ccf69627f11d995c800fd3e9 [O:1]=[C:2]([CH2:3][Br:4])[c:5]1[cH:6][cH:7][c:8]([O:9][C:10]([F:11])([F:12])[F:13])[cH:14][cH:15]1>B.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CCN(CC)c1ccccc1.COC(C)(C)C>[OH:1][C@H:2]([CH2:3][Br:4])[c:5]1[cH:6][cH:7][c:8]([O:9][C:10]([F:11])([F:12])[F:13])[cH:14][cH:15]1 AOAGGWLQIILIIV-UHFFFAOYSA-N>>ZUJNWFLSKRUUFX-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c CC(C)(C)[OH:3].CC(C)(C)[Si](C)(C)[O:5]/[C:4](=[CH:2]\[CH3:1])[c:6]1[cH:7][c:8]([Cl:9])[cH:10][cH:11][cH:12]1>CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1nnc(O[C@@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@@H]3CCN2C[C@@H]3CC)c2ccccc12)c1ccnc2ccc(OC)cc12.CS(N)(=O)=O.O.O=S(O)O.[Na+].[Na+]>[CH3:1][C@@H:2]([OH:3])[C:4](=[O:5])[c:6]1[cH:7][c:8]([Cl:9])[cH:10][cH:11][cH:12]1 DKGAVHZHDRPRBM-UHFFFAOYSA-N.FUWJCOIFTHDHNC-AUWJEWJLSA-N>>PRVHLTNNKRCHGO-ZCFIWIBFSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:6]-[C@H;D3;+0:5](-[OH;D1;+0:1])-[C;H0;D3;+0:3](=[O;H0;D1;+0:2])-[c:4]>>C-C(-C)(-C)-[OH;D1;+0:1].C-C(-C)(-C)-[Si](-C)(-C)-[O;H0;D2;+0:2]/[C;H0;D3;+0:3](-[c:4])=[CH;D2;+0:5]\[C;D1;H3:6] af660797a1ca2bd25d6019d048a8830575273384b93e9d126b30cee044064240 CC(C)(C)[OH:9].CC(C)(C)[Si](C)(C)[O:6]/[C:5]([c:4]1[cH:3][c:2]([CH3:1])[cH:12][cH:11][cH:10]1)=[CH:7]\[CH3:8]>CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](Oc1nnc(O[C@@H](c2ccnc3ccc(OC)cc23)[C@H]2C[C@@H]3CCN2C[C@@H]3CC)c2ccccc12)c1ccnc2ccc(OC)cc12.CS(N)(=O)=O.ClC(Cl)Cl.O>[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[C@@H:7]([CH3:8])[OH:9])[cH:10][cH:11][cH:12]1 DKGAVHZHDRPRBM-UHFFFAOYSA-N.QKWNTYLXMXDNCP-NVNXTCNLSA-N>>OMVQOLJSCKLZHL-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:6]-[C@H;D3;+0:5](-[OH;D1;+0:1])-[C;H0;D3;+0:3](=[O;H0;D1;+0:2])-[c:4]>>C-C(-C)(-C)-[OH;D1;+0:1].C-C(-C)(-C)-[Si](-C)(-C)-[O;H0;D2;+0:2]/[C;H0;D3;+0:3](-[c:4])=[CH;D2;+0:5]\[C;D1;H3:6] af660797a1ca2bd25d6019d048a8830575273384b93e9d126b30cee044064240 C[Si](C)(C)[C:18]([F:19])([F:20])[F:21].[CH3:1][N:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])[C:10]1=[N:11][C@H:12]2[C@H:13]([O:14][C@H:15]([CH:16]=[O:17])[C@@H:22]([O:23][CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[C@@H:31]2[O:32][CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[S:40]1>C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.F>[CH3:1][N:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])[C:10]1=[N:11][C@H:12]2[C@H:13]([O:14][C@H:15]([C@@H:16]([OH:17])[C:18]([F:19])([F:20])[F:21])[C@@H:22]([O:23][CH2:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[C@@H:31]2[O:32][CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[S:40]1 MWKJTNBSKNUMFN-UHFFFAOYSA-N.PWGHDZRPSJMWSB-MRKXFKPJSA-N>>ABEPJHPOXSCZOF-GDHSQPOBSA-N 0.0 Unrecognized False substrate controlled False [#8:5]-[C:6]-[C@@H;D3;+0:7](-[OH;D1;+0:8])-[C;H0;D4;+0:1](-[F;D1;H0:2])(-[F;D1;H0:3])-[F;D1;H0:4]>>C-[Si](-C)(-C)-[C;H0;D4;+0:1](-[F;D1;H0:2])(-[F;D1;H0:3])-[F;D1;H0:4].[#8:5]-[C:6]-[CH;D2;+0:7]=[O;H0;D1;+0:8] efb1c7be197c01e66263ef0e70a57dea53fa68d2de416ccc2c72f5fc3548f55a C[Si](C)(C)[C:29]([F:30])([F:31])[F:32].[CH2:1]=[CH:2][CH2:3][O:4][C@H:5]1[C@H:6]([O:7][CH2:8][CH:9]=[CH2:10])[C@H:11]2[N:12]=[C:13]([N:14]([CH3:15])[C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[S:23][C@H:24]2[O:25][C@@H:26]1[CH:27]=[O:28]>C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.F>[CH2:1]=[CH:2][CH2:3][O:4][C@H:5]1[C@H:6]([O:7][CH2:8][CH:9]=[CH2:10])[C@H:11]2[N:12]=[C:13]([N:14]([CH3:15])[C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[S:23][C@H:24]2[O:25][C@@H:26]1[C@@H:27]([OH:28])[C:29]([F:30])([F:31])[F:32] AVIXMAGGBSSFRZ-OXGONZEZSA-N.MWKJTNBSKNUMFN-UHFFFAOYSA-N>>DIZFRAZWTFQTPA-OWDFPOFWSA-N 0.0 Unrecognized False substrate controlled False [#8:5]-[C:6]-[C@@H;D3;+0:7](-[OH;D1;+0:8])-[C;H0;D4;+0:1](-[F;D1;H0:2])(-[F;D1;H0:3])-[F;D1;H0:4]>>C-[Si](-C)(-C)-[C;H0;D4;+0:1](-[F;D1;H0:2])(-[F;D1;H0:3])-[F;D1;H0:4].[#8:5]-[C:6]-[CH;D2;+0:7]=[O;H0;D1;+0:8] efb1c7be197c01e66263ef0e70a57dea53fa68d2de416ccc2c72f5fc3548f55a C[Si](C)(C)[C:30]([F:31])([F:32])[F:33].[CH2:1]=[CH:2][CH2:3][O:4][C@H:5]1[C@H:6]([O:7][CH2:8][CH:9]=[CH2:10])[C@H:11]2[N:12]=[C:13]([N:14]([CH2:15][CH3:16])[C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[S:24][C@H:25]2[O:26][C@@H:27]1[CH:28]=[O:29]>C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.F>[CH2:1]=[CH:2][CH2:3][O:4][C@H:5]1[C@H:6]([O:7][CH2:8][CH:9]=[CH2:10])[C@H:11]2[N:12]=[C:13]([N:14]([CH2:15][CH3:16])[C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[S:24][C@H:25]2[O:26][C@@H:27]1[C@@H:28]([OH:29])[C:30]([F:31])([F:32])[F:33] CGXKWGHKINGTAU-WRQOLXDDSA-N.MWKJTNBSKNUMFN-UHFFFAOYSA-N>>ZQTPMPBGEGHDFJ-KOWPAETKSA-N 0.0 Unrecognized False substrate controlled False [#8:5]-[C:6]-[C@@H;D3;+0:7](-[OH;D1;+0:8])-[C;H0;D4;+0:1](-[F;D1;H0:2])(-[F;D1;H0:3])-[F;D1;H0:4]>>C-[Si](-C)(-C)-[C;H0;D4;+0:1](-[F;D1;H0:2])(-[F;D1;H0:3])-[F;D1;H0:4].[#8:5]-[C:6]-[CH;D2;+0:7]=[O;H0;D1;+0:8] efb1c7be197c01e66263ef0e70a57dea53fa68d2de416ccc2c72f5fc3548f55a O=S(=O)(O[C@@H:5]([C:3]([O:2][CH3:1])=[O:4])[CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)C(F)(F)F.[nH:13]1[cH:14][cH:15][c:16]([O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:25][c:26]1=[O:27]>C1CCOC1.CC(C)(C)O.CCCC[N+](CCCC)(CCCC)CCCC.O.Br.[K+]>[CH3:1][O:2][C:3](=[O:4])[C@H:5]([CH2:6][c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[n:13]1[cH:14][cH:15][c:16]([O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:25][c:26]1=[O:27] DOVNUEPFPBWTSV-UHFFFAOYSA-N.XFMNYRKEHCMITR-SECBINFHSA-N>>LOAGJAVWNFURLN-FQEVSTJZSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3](=[O;D1;H0:4])-[#8:5]-[C;D1;H3:6])-[n;H0;D3;+0:8](:[c:7]):[c:9]>>F-C(-F)(-F)-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[#8:5]-[C;D1;H3:6].[c:7]:[nH;D2;+0:8]:[c:9] a5f2d884863857e80c512b563358c1e618d615dae0b2c8fdae87c4436dcf845b [CH:1]#[C:2][C:3](=[O:4])[CH2:5][CH2:6][O:7][Si:8]([CH3:9])([CH3:10])[C:11]([CH3:12])([CH3:13])[CH3:14]>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CSC>[CH:1]#[C:2][C@@H:3]([OH:4])[CH2:5][CH2:6][O:7][Si:8]([CH3:9])([CH3:10])[C:11]([CH3:12])([CH3:13])[CH3:14] GSDJXEUQBFSWBF-UHFFFAOYSA-N>>INSPSHPXNANDPX-SNVBAGLBSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]#[C;D1;H1:5]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]#[C;D1;H1:5] 625623d341b04518f7cb0de1284c1f1603684fc898d8fde967984432889bdc30 Fc1c(F)c(F)c(O[P@@:10]([NH:9][C@H:7]([C:5]([O:4][CH:2]([CH3:1])[CH3:3])=[O:6])[CH3:8])(=[O:11])[O:30][c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)c(F)c1F.[OH:12][CH2:13][C@H:14]1[O:15][C@@H:16]([n:17]2[cH:18][cH:19][c:20](=[O:21])[nH:22][c:23]2=[O:24])[C@@:25]([F:26])([Cl:27])[C@@H:28]1[OH:29]>C1CCOC1.CC(C)(C)[Mg]Cl.CN1CCCN(C)C1=O.Cc1ccccc1.Cl>[CH3:1][CH:2]([CH3:3])[O:4][C:5](=[O:6])[C@H:7]([CH3:8])[NH:9][P@:10](=[O:11])([O:12][CH2:13][C@H:14]1[O:15][C@@H:16]([n:17]2[cH:18][cH:19][c:20](=[O:21])[nH:22][c:23]2=[O:24])[C@@:25]([F:26])([Cl:27])[C@@H:28]1[OH:29])[O:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1 JOBHDZRPORQAPN-FJGDRVTGSA-N.MIILDBHEJQLACD-ZJPIPACBSA-N>>XFOJNFIRBOHRKD-QAHSMXFHSA-N 0.0 Unrecognized False stereospecific False [#7:2]-[P@;H0;D4;+0:1](-[#8:3])(=[O;D1;H0:4])-[O;H0;D2;+0:6]-[C:5]>>F-c1:c(-F):c(-F):c(-O-[P@;H0;D4;+0:1](-[#7:2])(-[#8:3])=[O;D1;H0:4]):c(-F):c:1-F.[C:5]-[OH;D1;+0:6] 70ca27531c9ecb4a271439f4fcbe4ae6f0ab39f6a8dda3ad447101a6e31f209b [CH3:1][C@H:2]1[CH2:3][C:4](=[O:5])[c:6]2[c:7]([s:8][c:9]([S:10]([NH2:11])(=[O:12])=[O:13])[cH:14]2)[S:15]1(=[O:16])=[O:17]>C1CCOC1.B.[Na+]>[CH3:1][C@H:2]1[CH2:3][C@@H:4]([OH:5])[c:6]2[c:7]([s:8][c:9]([S:10]([NH2:11])(=[O:12])=[O:13])[cH:14]2)[S:15]1(=[O:16])=[O:17] ZNKBPKZZBUIBTD-BYPYZUCNSA-N>>ZXSUWHJGLUHKPC-UJURSFKZSA-N 0.0 Unrecognized False substrate controlled False [#16;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[#16;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] 81140bf5833526736f9b408e7c6e9600135a22457445673ebc0febc54d5161b4 [CH:1]#[C:2][C:3](=[O:4])[CH2:5][CH2:6][O:7][Si:8]([CH3:9])([CH3:10])[C:11]([CH3:12])([CH3:13])[CH3:14]>B.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.CSC>[CH:1]#[C:2][C@@H:3]([OH:4])[CH2:5][CH2:6][O:7][Si:8]([CH3:9])([CH3:10])[C:11]([CH3:12])([CH3:13])[CH3:14] GSDJXEUQBFSWBF-UHFFFAOYSA-N>>INSPSHPXNANDPX-SNVBAGLBSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[C:4]#[C;D1;H1:5]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[C:4]#[C;D1;H1:5] 8478184279fc2e13823593acd0d0082ed7ba9668bd5211c61664a700968c0f98 O[C@@H:6]1[CH2:7][CH2:8][N:9]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:17]1.[CH3:1][O:2][c:3]1[c:4]([OH:5])[cH:18][cH:19][c:20]([N:21]2[CH2:22][CH2:23][CH:24]([O:25][c:26]3[cH:27][cH:28][c:29]([CH:30]4[CH2:31][CH2:32]4)[cH:33][cH:34]3)[C:35]2=[O:36])[cH:37]1>C1CCOC1.CCOC(=O)/N=N/C(=O)OCC.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][O:2][c:3]1[c:4]([O:5][C@H:6]2[CH2:7][CH2:8][N:9]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:17]2)[cH:18][cH:19][c:20]([N:21]2[CH2:22][CH2:23][CH:24]([O:25][c:26]3[cH:27][cH:28][c:29]([CH:30]4[CH2:31][CH2:32]4)[cH:33][cH:34]3)[C:35]2=[O:36])[cH:37]1 APCBTRDHCDOPNY-SSDOTTSWSA-N.ROOLQFOGOWYYGN-UHFFFAOYSA-N>>USRVQKMUUIFXIL-LFQPHHBNSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:5]-[c:6]>>O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[OH;D1;+0:5]-[c:6] 46649d27f2a36a0341472fcb4a87996d3070196c5c9248118b6e08fdd6c79520 CS(=O)(=O)O[C@H:6]1[CH2:7][CH2:8][N:9]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:17]1.[CH3:1][O:2][c:3]1[c:4]([OH:5])[cH:18][cH:19][c:20]([N+:21](=[O:22])[O-:23])[cH:24]1>CN(C)C=O.O=C(O)O.[K+].[K+]>[CH3:1][O:2][c:3]1[c:4]([O:5][C@@H:6]2[CH2:7][CH2:8][N:9]([C:10](=[O:11])[O:12][C:13]([CH3:14])([CH3:15])[CH3:16])[CH2:17]2)[cH:18][cH:19][c:20]([N+:21](=[O:22])[O-:23])[cH:24]1 IZLVFLOBTPURLP-UHFFFAOYSA-N.KWQRKOSMSFLBTJ-QMMMGPOBSA-N>>ADQADXLSSWZBMR-GFCCVEGCSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:5]-[c:6]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[OH;D1;+0:5]-[c:6] 19a4b42d8caf5b0d7d6ea0f94ee317486f2e3e5dc9494a71c172404a23cb03ec Cc1ccc(S(=O)(=O)O[C@H:28]2[CH2:29][CH2:30][O:31][CH2:32]2)cc1.[CH3:1][C:2]1([CH3:3])[C:4](=[O:5])[N:6]([c:7]2[cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[c:14]([C:15]#[N:16])[cH:17][cH:18]2)[C:19](=[S:20])[N:21]1[c:22]1[cH:23][c:24]([F:25])[c:26]([OH:27])[cH:33][cH:34]1>CC(=O)N(C)C.O.O=C(O)O.[Cs+].[Cs+]>[CH3:1][C:2]1([CH3:3])[C:4](=[O:5])[N:6]([c:7]2[cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[c:14]([C:15]#[N:16])[cH:17][cH:18]2)[C:19](=[S:20])[N:21]1[c:22]1[cH:23][c:24]([F:25])[c:26]([O:27][C@@H:28]2[CH2:29][CH2:30][O:31][CH2:32]2)[cH:33][cH:34]1 ALEVEZMLPKTOBM-UHFFFAOYSA-N.WWCNXHYRAKUQDB-JTQLQIEISA-N>>YEXNFPZSYGNSJU-MRXNPFEDSA-N 0.0 Unrecognized False stereospecific False [#8:4]-[C:3]-[C@@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:5]-[c:6]>>C-c1:c:c:c(-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#8:4]):c:c:1.[OH;D1;+0:5]-[c:6] a4d1d613b0d15abfbb039e765e0e1e8310824f85de5c08ea12fecaafcee8d1a9 Cc1ccc(S(=O)(=O)O[C@@H:28]2[CH2:29][CH2:30][O:31][CH2:32]2)cc1.[CH3:1][C:2]1([CH3:3])[C:4](=[O:5])[N:6]([c:7]2[cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[c:14]([C:15]#[N:16])[cH:17][cH:18]2)[C:19](=[S:20])[N:21]1[c:22]1[cH:23][c:24]([F:25])[c:26]([OH:27])[cH:33][cH:34]1>CC(=O)N(C)C.O.O=C(O)O.[Cs+].[Cs+]>[CH3:1][C:2]1([CH3:3])[C:4](=[O:5])[N:6]([c:7]2[cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[c:14]([C:15]#[N:16])[cH:17][cH:18]2)[C:19](=[S:20])[N:21]1[c:22]1[cH:23][c:24]([F:25])[c:26]([O:27][C@H:28]2[CH2:29][CH2:30][O:31][CH2:32]2)[cH:33][cH:34]1 ALEVEZMLPKTOBM-UHFFFAOYSA-N.WWCNXHYRAKUQDB-SNVBAGLBSA-N>>YEXNFPZSYGNSJU-INIZCTEOSA-N 0.0 Unrecognized False stereospecific False [#8:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:5]-[c:6]>>C-c1:c:c:c(-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#8:4]):c:c:1.[OH;D1;+0:5]-[c:6] c1aab050715e4312b3f8a878d6ec85617771d5fa66b3c3556742503d3532dc73 O[C@@H:28]1[CH2:29][CH2:30][NH:31][CH2:32]1.[CH3:1][C:2]1([CH3:3])[C:4](=[O:5])[N:6]([c:7]2[cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[c:14]([C:15]#[N:16])[cH:17][cH:18]2)[C:19](=[S:20])[N:21]1[c:22]1[cH:23][c:24]([F:25])[c:26]([OH:27])[cH:33][cH:34]1>CCCCP(CCCC)CCCC.Cc1ccccc1.O=C(N=NC(=O)N1CCCCC1)N1CCCCC1>[CH3:1][C:2]1([CH3:3])[C:4](=[O:5])[N:6]([c:7]2[cH:8][c:9]([C:10]([F:11])([F:12])[F:13])[c:14]([C:15]#[N:16])[cH:17][cH:18]2)[C:19](=[S:20])[N:21]1[c:22]1[cH:23][c:24]([F:25])[c:26]([O:27][C@H:28]2[CH2:29][CH2:30][NH:31][CH2:32]2)[cH:33][cH:34]1 ALEVEZMLPKTOBM-UHFFFAOYSA-N.JHHZLHWJQPUNKB-SCSAIBSYSA-N>>RGJULKMOAFMQJR-INIZCTEOSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:5]-[c:6]>>O-[C@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[OH;D1;+0:5]-[c:6] 46649d27f2a36a0341472fcb4a87996d3070196c5c9248118b6e08fdd6c79520 [CH3:1][C:2]1=[C:3]2[CH2:4][CH2:5][CH2:6][C:7](=[O:8])[C@@:9]2([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:16][CH2:17][C:18]1=[O:19]>CCO.B.[Na+]>[CH3:1][C:2]1=[C:3]2[CH2:4][CH2:5][CH2:6][C@H:7]([OH:8])[C@@:9]2([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[CH2:16][CH2:17][C:18]1=[O:19] SGTOHQPJRSCXBT-QGZVFWFLSA-N>>FXRGRHMHFDHHMO-DLBZAZTESA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[C:1]=[C:2]-[C:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] a151f5e9b802151b9faa8b0e95d37e4b20ecdf5020ffa32b2705f9b7a2e484eb [CH3:1][C:2]1=[C:19]2[C@:7]([c:8]3[cH:9][cH:10][cH:11][cH:12][cH:13]3)([CH2:6][CH2:5][C:3]1=[O:4])[C@@H:14]([OH:15])[CH2:16][CH2:17][CH2:18]2>C1CCOC1.[Pd].c1ccncc1>[CH3:1][C@@H:2]1[C:3](=[O:4])[CH2:5][CH2:6][C@:7]2([c:8]3[cH:9][cH:10][cH:11][cH:12][cH:13]3)[C@@H:14]([OH:15])[CH2:16][CH2:17][CH2:18][C@@H:19]12 FXRGRHMHFDHHMO-DLBZAZTESA-N>>WOIKCOLGPGCKOP-ZFZWDLNGSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[C@H;D3;+0:4](-[C;D1;H3:5])-[C:6]=[O;D1;H0:7]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[C;H0;D3;+0:4](-[C;D1;H3:5])-[C:6]=[O;D1;H0:7] e3f54b5776b28ae0751b8906fff35fc63c01573c620c199e82fe3bcbc7b95157 [CH3:1][C:2]1=[C:20]2[C@:7]([c:8]3[cH:9][cH:10][c:11]([F:12])[cH:13][cH:14]3)([CH2:6][CH2:5][C:3]1=[O:4])[C@@H:15]([OH:16])[CH2:17][CH2:18][CH2:19]2>C1CCOC1.[Pd].c1ccncc1>[CH3:1][C@@H:2]1[C:3](=[O:4])[CH2:5][CH2:6][C@:7]2([c:8]3[cH:9][cH:10][c:11]([F:12])[cH:13][cH:14]3)[C@@H:15]([OH:16])[CH2:17][CH2:18][CH2:19][C@@H:20]12 FXNVIVKZKRXZDQ-DLBZAZTESA-N>>ICYGADZZCCWEAP-YJOCZYATSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[C@H;D3;+0:4](-[C;D1;H3:5])-[C:6]=[O;D1;H0:7]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[C;H0;D3;+0:4](-[C;D1;H3:5])-[C:6]=[O;D1;H0:7] e3f54b5776b28ae0751b8906fff35fc63c01573c620c199e82fe3bcbc7b95157 [CH3:1][C:2]1=[C:20]2[C@:7]([c:8]3[cH:9][c:10]([F:11])[cH:12][cH:13][cH:14]3)([CH2:6][CH2:5][C:3]1=[O:4])[C@@H:15]([OH:16])[CH2:17][CH2:18][CH2:19]2>C1CCOC1.[Pd].c1ccncc1>[CH3:1][C@@H:2]1[C:3](=[O:4])[CH2:5][CH2:6][C@:7]2([c:8]3[cH:9][c:10]([F:11])[cH:12][cH:13][cH:14]3)[C@@H:15]([OH:16])[CH2:17][CH2:18][CH2:19][C@@H:20]12 XHDYBLREYUSVIK-DLBZAZTESA-N>>NIRNXKAAGPXLAG-YJOCZYATSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[C@H;D3;+0:4](-[C;D1;H3:5])-[C:6]=[O;D1;H0:7]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[C;H0;D3;+0:4](-[C;D1;H3:5])-[C:6]=[O;D1;H0:7] e3f54b5776b28ae0751b8906fff35fc63c01573c620c199e82fe3bcbc7b95157 [CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C@:7]23[CH2:8][CH2:9][C:10](=[O:11])[C:12]([CH3:13])=[C:14]2[CH2:15][CH2:16][CH2:17][C@@H:18]3[OH:19])[cH:20][cH:21]1>C1CCOC1.[Pd].c1ccncc1>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C@:7]23[CH2:8][CH2:9][C:10](=[O:11])[C@@H:12]([CH3:13])[C@@H:14]2[CH2:15][CH2:16][CH2:17][C@@H:18]3[OH:19])[cH:20][cH:21]1 SGOWYWQBKGSWBB-ZWKOTPCHSA-N>>HYSCNXSIRZAKHJ-OYYDLILQSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[C@H;D3;+0:4](-[C;D1;H3:5])-[C:6]=[O;D1;H0:7]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[C;H0;D3;+0:4](-[C;D1;H3:5])-[C:6]=[O;D1;H0:7] e3f54b5776b28ae0751b8906fff35fc63c01573c620c199e82fe3bcbc7b95157 [CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([C@:8]23[CH2:9][CH2:10][C:11](=[O:12])[C:13]([CH3:14])=[C:15]2[CH2:16][CH2:17][CH2:18][C:19]3=[O:20])[cH:21][cH:22][cH:23]1>CC(=O)O.CCO.B.[Na+]>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([C@:8]23[CH2:9][CH2:10][C:11](=[O:12])[C:13]([CH3:14])=[C:15]2[CH2:16][CH2:17][CH2:18][C@@H:19]3[OH:20])[cH:21][cH:22][cH:23]1 DPARKFXIJGWASP-LJQANCHMSA-N>>UUDOYZWUNNGPPB-PKOBYXMFSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C:3]-[C@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>[C:1]=[C:2]-[C:3]-[C;H0;D3;+0:4](-[C:5])=[O;H0;D1;+0:6] a151f5e9b802151b9faa8b0e95d37e4b20ecdf5020ffa32b2705f9b7a2e484eb [CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([C@:8]23[CH2:9][CH2:10][C:11](=[O:12])[C:13]([CH3:14])=[C:15]2[CH2:16][CH2:17][CH2:18][C@@H:19]3[OH:20])[cH:21][cH:22][cH:23]1>C1CCOC1.[Pd].c1ccncc1>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([C@:8]23[CH2:9][CH2:10][C:11](=[O:12])[C@@H:13]([CH3:14])[C@@H:15]2[CH2:16][CH2:17][CH2:18][C@@H:19]3[OH:20])[cH:21][cH:22][cH:23]1 UUDOYZWUNNGPPB-PKOBYXMFSA-N>>FVCQXXVKWXUPFG-CUJLYAAOSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[C@H;D3;+0:4](-[C;D1;H3:5])-[C:6]=[O;D1;H0:7]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[C;H0;D3;+0:4](-[C;D1;H3:5])-[C:6]=[O;D1;H0:7] e3f54b5776b28ae0751b8906fff35fc63c01573c620c199e82fe3bcbc7b95157 Fc1c(F)c(F)c(O[P@:10](=[O:11])([NH:12][C@@H:13]([CH3:14])[C:15](=[O:16])[O:17][CH:18]([CH3:19])[CH3:20])[O:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)c(F)c1F.[CH:1]#[C:2][C@@:3]1([OH:4])[C@H:5]([OH:6])[C@:7]([CH2:8][OH:9])([N:28]=[N+:29]=[N-:30])[O:31][C@H:32]1[n:33]1[cH:34][cH:35][c:36](=[O:37])[nH:38][c:39]1=[O:40]>C1CCOC1.CC(=O)O.CC(C)(C)[Mg]Cl>[CH:1]#[C:2][C@@:3]1([OH:4])[C@H:5]([OH:6])[C@:7]([CH2:8][O:9][P@@:10](=[O:11])([NH:12][C@@H:13]([CH3:14])[C:15](=[O:16])[O:17][CH:18]([CH3:19])[CH3:20])[O:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)([N:28]=[N+:29]=[N-:30])[O:31][C@H:32]1[n:33]1[cH:34][cH:35][c:36](=[O:37])[nH:38][c:39]1=[O:40] MIILDBHEJQLACD-ZJPIPACBSA-N.OFFUFTZGSFEWMG-SCVMZPAESA-N>>YIBDISUFXIWUGV-BWXNQINQSA-N 0.0 Unrecognized False stereospecific False [#7:2]-[P@;H0;D4;+0:1](-[#8:3])(=[O;D1;H0:4])-[O;H0;D2;+0:6]-[C:5]>>F-c1:c(-F):c(-F):c(-O-[P@;H0;D4;+0:1](-[#7:2])(-[#8:3])=[O;D1;H0:4]):c(-F):c:1-F.[C:5]-[OH;D1;+0:6] 70ca27531c9ecb4a271439f4fcbe4ae6f0ab39f6a8dda3ad447101a6e31f209b CC[Zn][CH2:2][CH3:1].[CH:3](=[O:4])[c:5]1[cH:6][c:7]([F:8])[c:9]([O:10][C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC1(C)O[C@H](C(O)(c2ccccc2)c2ccccc2)[C@@H](C(O)(c2ccccc2)c2ccccc2)O1.CCCCCC.CCOC(C)=O.O.Cl.N.[Ti+4]>[CH3:1][CH2:2][C@@H:3]([OH:4])[c:5]1[cH:6][c:7]([F:8])[c:9]([O:10][C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1 HQWPLXHWEZZGKY-UHFFFAOYSA-N.RQLRUBHAAVGRPW-UHFFFAOYSA-N>>BRFNQLVVDXIOFN-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:2]-[CH2;D2;+0:1]-[C@@H;D3;+0:4](-[OH;D1;+0:3])-[c:5]>>C-C-[Zn]-[CH2;D2;+0:1]-[C;D1;H3:2].[O;H0;D1;+0:3]=[CH;D2;+0:4]-[c:5] f1324002e119baa082b7ec39d866f9b702faa0502e5ff1185780c296fdad4068 CC[Zn][CH2:2][CH3:1].[CH:3](=[O:4])[c:5]1[cH:6][c:7]([Cl:8])[c:9]([O:10][C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC1(C)O[C@H](C(O)(c2ccc3ccccc3c2)c2ccc3ccccc3c2)[C@@H](C(O)(c2ccc3ccccc3c2)c2ccc3ccccc3c2)O1.CCCCCC.ClC(Cl)Cl.O.[Ti+4]>[CH3:1][CH2:2][C@@H:3]([OH:4])[c:5]1[cH:6][c:7]([Cl:8])[c:9]([O:10][C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1 HQWPLXHWEZZGKY-UHFFFAOYSA-N.SDBUQQVMQXOGBO-UHFFFAOYSA-N>>CUWQYNOGKHPIJB-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:2]-[CH2;D2;+0:1]-[C@@H;D3;+0:4](-[OH;D1;+0:3])-[c:5]>>C-C-[Zn]-[CH2;D2;+0:1]-[C;D1;H3:2].[O;H0;D1;+0:3]=[CH;D2;+0:4]-[c:5] f1324002e119baa082b7ec39d866f9b702faa0502e5ff1185780c296fdad4068 O=[C:2]([CH3:1])[c:10]1[c:11]([F:12])[cH:13][cH:14][cH:15][cH:16]1.[NH2:3][S@:4](=[O:5])[C:6]([CH3:7])([CH3:8])[CH3:9]>C1CCOC1.CCOC(C)=O.CO.O.B.Cl.[Na+].[Na+]>[CH3:1][C@@H:2]([NH:3][S:4](=[O:5])[C:6]([CH3:7])([CH3:8])[CH3:9])[c:10]1[c:11]([F:12])[cH:13][cH:14][cH:15][cH:16]1 CESUXLKAADQNTB-SSDOTTSWSA-N.QMATYTFXDIWACW-UHFFFAOYSA-N>>MRDJIFLSQWQVSU-MGFKIWBESA-N 0.0 Unrecognized False substrate controlled False [C:4]-[S;H0;D3;+0:5](=[O;D1;H0:7])-[NH;D2;+0:6]-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>O=[C;H0;D3;+0:1](-[C;D1;H3:2])-[c:3].[C:4]-[S@;H0;D3;+0:5](-[NH2;D1;+0:6])=[O;D1;H0:7] 2d2021249593922e7108aecd5e9f4c0c82b6974d7e1daf72f6d0302d80b94678 O=[C:2]([CH3:1])[c:10]1[c:11]([F:12])[c:13]([F:14])[cH:15][cH:16][cH:17]1.[NH2:3][S@:4](=[O:5])[C:6]([CH3:7])([CH3:8])[CH3:9]>C1CCOC1.CC(C)O[Ti](OC(C)C)(OC(C)C)OC(C)C.CO.O.B.[Na+]>[CH3:1][C@@H:2]([NH:3][S:4](=[O:5])[C:6]([CH3:7])([CH3:8])[CH3:9])[c:10]1[c:11]([F:12])[c:13]([F:14])[cH:15][cH:16][cH:17]1 CESUXLKAADQNTB-SSDOTTSWSA-N.PQUXFUBNSYCQAL-UHFFFAOYSA-N>>MTRYWPCUDNJHSD-OEWHWVHBSA-N 0.0 Unrecognized False substrate controlled False [C:4]-[S;H0;D3;+0:5](=[O;D1;H0:7])-[NH;D2;+0:6]-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>O=[C;H0;D3;+0:1](-[C;D1;H3:2])-[c:3].[C:4]-[S@;H0;D3;+0:5](-[NH2;D1;+0:6])=[O;D1;H0:7] 2d2021249593922e7108aecd5e9f4c0c82b6974d7e1daf72f6d0302d80b94678 CC[Zn][CH2:2][CH3:1].[CH:3](=[O:4])[c:5]1[cH:6][c:7]([F:8])[c:9]([O:10][C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC1(C)O[C@H](C(O)(c2ccccc2)c2ccccc2)[C@@H](C(O)(c2ccccc2)c2ccccc2)O1.CCCCCC.CCOC(C)=O.O.Cl.N.[Ti+4]>[CH3:1][CH2:2][C@@H:3]([OH:4])[c:5]1[cH:6][c:7]([F:8])[c:9]([O:10][C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1 HQWPLXHWEZZGKY-UHFFFAOYSA-N.RQLRUBHAAVGRPW-UHFFFAOYSA-N>>BRFNQLVVDXIOFN-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:2]-[CH2;D2;+0:1]-[C@H;D3;+0:4](-[OH;D1;+0:3])-[c:5]>>C-C-[Zn]-[CH2;D2;+0:1]-[C;D1;H3:2].[O;H0;D1;+0:3]=[CH;D2;+0:4]-[c:5] fd1c6ecf5cbd624bbf7042a0d355da62ceeb3827cf936238fa314cabf5bccbc2 CC[Zn][CH2:2][CH3:1].[CH:3](=[O:4])[c:5]1[cH:6][c:7]([Cl:8])[c:9]([O:10][C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1>CC(C)O.CC(C)O.CC(C)O.CC(C)O.CC1(C)O[C@H](C(O)(c2ccc3ccccc3c2)c2ccc3ccccc3c2)[C@@H](C(O)(c2ccc3ccccc3c2)c2ccc3ccccc3c2)O1.CCCCCC.ClC(Cl)Cl.O.[Ti+4]>[CH3:1][CH2:2][C@@H:3]([OH:4])[c:5]1[cH:6][c:7]([Cl:8])[c:9]([O:10][C:11]([F:12])([F:13])[F:14])[cH:15][cH:16]1 HQWPLXHWEZZGKY-UHFFFAOYSA-N.SDBUQQVMQXOGBO-UHFFFAOYSA-N>>CUWQYNOGKHPIJB-MRVPVSSYSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:2]-[CH2;D2;+0:1]-[C@H;D3;+0:4](-[OH;D1;+0:3])-[c:5]>>C-C-[Zn]-[CH2;D2;+0:1]-[C;D1;H3:2].[O;H0;D1;+0:3]=[CH;D2;+0:4]-[c:5] fd1c6ecf5cbd624bbf7042a0d355da62ceeb3827cf936238fa314cabf5bccbc2 [CH3:1][C:2](=[O:3])[c:4]1[c:5]2[c:17]([cH:18][cH:19][cH:20]1)[CH2:16][CH2:15][N:7]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:6]2>B.C1CCOC1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12>[CH3:1][C@H:2]([OH:3])[c:4]1[c:5]2[c:17]([cH:18][cH:19][cH:20]1)[CH2:16][CH2:15][N:7]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:6]2 WTKBFXKXEKQLHS-UHFFFAOYSA-N>>YQHIFSHAPGNDCA-NSHDSACASA-N 0.0 Unrecognized False reagent controlled True [#7:1]-[C:2]-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1-[C@@H;D3;+0:9](-[C;D1;H3:10])-[OH;D1;+0:11]>>[#7:1]-[C:2]-[c:3]1:[c:4]:[c:5]:[c:6]:[c:7]:[c:8]:1-[C;H0;D3;+0:9](-[C;D1;H3:10])=[O;H0;D1;+0:11] 090621e4c35ee5b205f14f32becef21241843107894831ab155f345ad9d11f30 O[C@@H:29]([CH3:30])[c:31]1[c:32]([I:33])[cH:34][cH:35][cH:36][cH:37]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[c:8]([CH2:9][N:10]([c:11]2[n:12][c:13]([F:14])[cH:15][cH:16][cH:17]2)[S:18](=[O:19])(=[O:20])[c:21]2[cH:22][c:23]3[c:24]([cH:25][c:26]2[F:27])[nH:28][c:38](=[O:39])[o:40]3)[cH:41][cH:42]1>C1CCOC1.CCCCP(CCCC)CCCC.CCOC(=O)/N=N/C(=O)OCC>[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[c:8]([CH2:9][N:10]([c:11]2[n:12][c:13]([F:14])[cH:15][cH:16][cH:17]2)[S:18](=[O:19])(=[O:20])[c:21]2[cH:22][c:23]3[c:24]([cH:25][c:26]2[F:27])[n:28]([C@H:29]([CH3:30])[c:31]2[c:32]([I:33])[cH:34][cH:35][cH:36][cH:37]2)[c:38](=[O:39])[o:40]3)[cH:41][cH:42]1 CAHJBZUREGQOFC-LURJTMIESA-N.YEEUUYYYWVRFCR-UHFFFAOYSA-N>>RMSMOSLLZSXHLP-QGZVFWFLSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[c:3])-[n;H0;D3;+0:7]1:[c:6]:[c:5]:[#8;a:4]:[c:8]:1>>O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3].[#8;a:4]1:[c:5]:[c:6]:[nH;D2;+0:7]:[c:8]:1 14186e11c3561822f8a5da23e794db6cc14df8208eb9d740a30d1b0dc0ab30bb O[C@@H:29]([CH3:30])[c:31]1[c:32]([Br:33])[c:34]([CH3:35])[cH:36][cH:37][cH:38]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[c:8]([CH2:9][N:10]([c:11]2[n:12][c:13]([F:14])[cH:15][cH:16][cH:17]2)[S:18](=[O:19])(=[O:20])[c:21]2[cH:22][c:23]3[c:24]([cH:25][c:26]2[F:27])[nH:28][c:39](=[O:40])[o:41]3)[cH:42][cH:43]1>C1CCOC1.CCOC(=O)/N=N/C(=O)OCC.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[c:8]([CH2:9][N:10]([c:11]2[n:12][c:13]([F:14])[cH:15][cH:16][cH:17]2)[S:18](=[O:19])(=[O:20])[c:21]2[cH:22][c:23]3[c:24]([cH:25][c:26]2[F:27])[n:28]([C@H:29]([CH3:30])[c:31]2[c:32]([Br:33])[c:34]([CH3:35])[cH:36][cH:37][cH:38]2)[c:39](=[O:40])[o:41]3)[cH:42][cH:43]1 IFCJKKQCSCWWRU-ZETCQYMHSA-N.YEEUUYYYWVRFCR-UHFFFAOYSA-N>>BOPDJAPNMKFIMT-GOSISDBHSA-N 0.0 Unrecognized False stereospecific False [C;D1;H3:2]-[C@H;D3;+0:1](-[c:3])-[n;H0;D3;+0:7]1:[c:6]:[c:5]:[#8;a:4]:[c:8]:1>>O-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3].[#8;a:4]1:[c:5]:[c:6]:[nH;D2;+0:7]:[c:8]:1 14186e11c3561822f8a5da23e794db6cc14df8208eb9d740a30d1b0dc0ab30bb Cc1ccc(S(=O)(=O)O[C@H:22]([CH3:23])[c:24]2[cH:25][c:26]([Cl:27])[cH:28][c:29]([Cl:30])[cH:31]2)cc1.[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][C:8]([CH3:9])([CH3:10])[CH3:11])[c:12]([F:13])[cH:14][c:15]1[O:16][CH2:17][CH:18]1[CH2:19][CH2:20][NH:21][CH2:32][CH2:33]1>CC(C)(C)OC(=O)c1cc(C2CC2)c(OCC2(F)CCNCC2)cc1F.Cl.Fc1c(Cl)cc(C(F)(F)F)cc1CCl>[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][C:8]([CH3:9])([CH3:10])[CH3:11])[c:12]([F:13])[cH:14][c:15]1[O:16][CH2:17][CH:18]1[CH2:19][CH2:20][N:21]([C@@H:22]([CH3:23])[c:24]2[cH:25][c:26]([Cl:27])[cH:28][c:29]([Cl:30])[cH:31]2)[CH2:32][CH2:33]1 FZNSPXZCQZYDQJ-LLVKDONJSA-N.KDRNGAKKJMJDKB-UHFFFAOYSA-N>>KGLAGWQFGMUWOQ-KRWDZBQOSA-N 0.0 Unrecognized False stereospecific False [C:4]-[N;H0;D3;+0:5](-[C:6])-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>C-c1:c:c:c(-S(=O)(=O)-O-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3]):c:c:1.[C:4]-[NH;D2;+0:5]-[C:6] cfee57c7603912d6031f6047b8126d18a51c3cf7615b8bb75b6a3120a9b6d024 Cc1ccc(S(=O)(=O)O[C@H:2]([CH3:1])[c:3]2[cH:4][c:5]([Cl:6])[cH:7][c:8]([Cl:9])[cH:10]2)cc1.[NH:11]1[CH2:12][CH2:13][CH:14]([CH2:15][O:16][c:17]2[cH:18][c:19]([F:20])[c:21]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[cH:29][c:30]2[Cl:31])[CH2:32][CH2:33]1>CN(C)C=O.Cl.O.O=C(O)O.[K+].[K+]>[CH3:1][C@@H:2]([c:3]1[cH:4][c:5]([Cl:6])[cH:7][c:8]([Cl:9])[cH:10]1)[N:11]1[CH2:12][CH2:13][CH:14]([CH2:15][O:16][c:17]2[cH:18][c:19]([F:20])[c:21]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[cH:29][c:30]2[Cl:31])[CH2:32][CH2:33]1 FZNSPXZCQZYDQJ-LLVKDONJSA-N.QTOFZASMNRNRFJ-UHFFFAOYSA-N>>PLCSXZYLIWWXMD-HNNXBMFYSA-N 0.0 Unrecognized False stereospecific False [C:4]-[N;H0;D3;+0:5](-[C:6])-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>C-c1:c:c:c(-S(=O)(=O)-O-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3]):c:c:1.[C:4]-[NH;D2;+0:5]-[C:6] cfee57c7603912d6031f6047b8126d18a51c3cf7615b8bb75b6a3120a9b6d024 I[CH3:1].[CH2:2]([CH2:3][CH2:4][N:5]=[N+:6]=[N-:7])[C:8](=[O:9])[N:10]1[C:11](=[O:12])[O:13][CH2:14][C@H:15]1[CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[CH3:1][C@H:2]([CH2:3][CH2:4][N:5]=[N+:6]=[N-:7])[C:8](=[O:9])[N:10]1[C:11](=[O:12])[O:13][CH2:14][C@H:15]1[CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1 INQOMBQAUSQDDS-UHFFFAOYSA-N.SOMOSMJAHBOCTH-GFCCVEGCSA-N>>YXUNDDJJFPYRAS-DGCLKSJQSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[C:6])-[CH3;D1;+0:1]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[C:6] ca1f6858c2397350d90e61899db160ccc8e0bb6d6e21e9a85751a6d6be5df360 O=P(c1ccccc1)(c1ccccc1)[N:3]=[N+:2]=[N-:1].O[C@H:4]1[CH2:5][CH2:6][CH2:7][c:8]2[c:9]([Br:10])[cH:11][cH:12][cH:13][c:14]21>C1CCC2=NCCCN2CC1.C1CCOC1>[N-:1]=[N+:2]=[N:3][C@@H:4]1[CH2:5][CH2:6][CH2:7][c:8]2[c:9]([Br:10])[cH:11][cH:12][cH:13][c:14]21 JEDJGVSGTZKGFJ-JTQLQIEISA-N.MKRTXPORKIRPDG-UHFFFAOYSA-N>>OGDOHVPGFOSYEH-SNVBAGLBSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[c:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].O=P(-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6])(-c1:c:c:c:c:c:1)-c1:c:c:c:c:c:1 ab6024695fd701762ae9e20213f5206f982841807bb21b41ca56b06d668bb63c CS(=O)(=O)O[C@H:8]1[CH2:9][CH2:10][C@@H:11]([CH3:12])[N:13]([C:14](=[O:15])[c:16]2[c:17](-[n:18]3[n:19][cH:20][cH:21][n:22]3)[cH:23][cH:24][cH:25][cH:26]2)[CH2:27]1.[CH3:1][c:2]1[c:3]([C:4]#[N:5])[c:6]([OH:7])[n:28][cH:29][cH:30]1>CN(C)C=O.O.O=C(O)O.O=C(O)O.[Cs+].[Cs+].[Na+]>[CH3:1][c:2]1[c:3]([C:4]#[N:5])[c:6]([O:7][C@@H:8]2[CH2:9][CH2:10][C@@H:11]([CH3:12])[N:13]([C:14](=[O:15])[c:16]3[c:17](-[n:18]4[n:19][cH:20][cH:21][n:22]4)[cH:23][cH:24][cH:25][cH:26]3)[CH2:27]2)[n:28][cH:29][cH:30]1 XSJRLWNOZDULKJ-UHFFFAOYSA-N.ZVIKDQJVPQCIHV-OLZOCXBDSA-N>>AUZOCXXGCDWNIR-IAGOWNOFSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:7]-[c:6]:[#7;a:5]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[#7;a:5]:[c:6]-[OH;D1;+0:7] 9bd7f4add148f38c537fe257dc11289747f2c22dfafbe4125aca74e445feced4 Br[CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1.[CH3:1][CH2:2][CH2:3][CH2:4][C@H:5]1[C@H:6]([CH3:7])[O:8][C:9](=[O:10])[CH2:11]1>C1CCOC1.CC(C)NC(C)C.[Li]CCCC>[CH3:1][CH2:2][CH2:3][CH2:4][C@H:5]1[C@H:6]([CH3:7])[O:8][C:9](=[O:10])[C@@H:11]1[CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1 AGEZXYOZHKGVCM-UHFFFAOYSA-N.MZVWNKFSZHBNAB-JGVFFNPUSA-N>>OOJSTMNLZOBPBR-AEGPPILISA-N 0.0 Unrecognized False substrate controlled False [C;D1;H3:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[C@H;D3;+0:8](-[CH2;D2;+0:1]-[c:2])-[C:9]-1>>Br-[CH2;D2;+0:1]-[c:2].[C;D1;H3:3]-[C:4]1-[#8:5]-[C:6](=[O;D1;H0:7])-[CH2;D2;+0:8]-[C:9]-1 c34de8b187abb041b2c73bdd7e1f00481957a40f634fe1f6b248ef3c8ecce090 O[OH:6].[CH3:1][C@@:2]12[CH2:3][CH2:4][CH:5]=[CH:7][C@H:8]1[CH2:9][CH2:10][C@H:11]1[C@H:12]2[CH2:13][CH2:14][C@@:15]2([CH3:16])[C:17](=[O:18])[CH2:19][CH2:20][C@H:21]12>CO.Cl.ClCCl.O=CO.[Na+].O>[CH3:1][C@@:2]12[CH2:3][CH2:4][C@@H:5]3[O:6][C@@H:7]3[C@H:8]1[CH2:9][CH2:10][C@H:11]1[C@H:12]2[CH2:13][CH2:14][C@@:15]2([CH3:16])[C:17](=[O:18])[CH2:19][CH2:20][C@H:21]12 MHAJPDPJQMAIIY-UHFFFAOYSA-N.RJWNCDOWHNLVPF-CBXRHLNTSA-N>>ALHYGULCJHAJFX-GPMVPIICSA-N 0.0 Unrecognized True substrate controlled False [C@H;D3;+0:2]1-[C@H;D3;+0:3]-[O;H0;D2;+0:1]-1>>O-[OH;D1;+0:1].[CH;D2;+0:2]=[CH;D2;+0:3] 9740534d6e53603ec0885d1a62723b33e81cf64c2a5287ad4a8fbbf667c542ac [CH2:1]=[C:2]1[CH2:3][C@H:4]2[C@@H:5]([CH2:6][CH2:7][C@@:8]3([CH3:9])[C:10](=[O:11])[CH2:12][CH2:13][C@H:14]23)[C@:15]2([CH3:16])[CH2:17][CH2:18][C:19](=[O:20])[CH2:21][C@@H:22]12>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.OO.[K+].[Na+].O>[CH2:1]=[C:2]1[CH2:3][C@H:4]2[C@@H:5]([CH2:6][CH2:7][C@@:8]3([CH3:9])[C:10](=[O:11])[CH2:12][CH2:13][C@H:14]23)[C@:15]2([CH3:16])[CH2:17][CH2:18][C@H:19]([OH:20])[CH2:21][C@@H:22]12 QYRHBSKUWKINIQ-MJKUBCPDSA-N>>KBLKIFGXVYJYIP-FMKUXJSGSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH2:1]=[C:2]1[CH2:3][C@H:4]2[C@@H:5]([CH2:6][CH2:7][C@@:8]3([CH3:9])[C:10](=[O:11])[C:12](=[CH:13][c:14]4[cH:15][cH:16][cH:17][cH:18][cH:19]4)[CH2:20][C@H:21]23)[C@:22]2([CH3:23])[CH2:24][CH2:25][C@H:26]([OH:27])[CH2:28][C@@H:29]12>CC(=O)O.CCO.O.B.[Na+]>[CH2:1]=[C:2]1[CH2:3][C@H:4]2[C@@H:5]([CH2:6][CH2:7][C@@:8]3([CH3:9])[C@H:10]([OH:11])[C:12](=[CH:13][c:14]4[cH:15][cH:16][cH:17][cH:18][cH:19]4)[CH2:20][C@H:21]23)[C@:22]2([CH3:23])[CH2:24][CH2:25][C@H:26]([OH:27])[CH2:28][C@@H:29]12 JLQNWTPGVNMLHV-GSNOGVCNSA-N>>FGOCBUGMSUROGO-VULPJVDNSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[C:1]=[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 3d438d587d87521e60f8311dfb4f60605630598ea592a8172db481577c2b213e [CH3:1][O:2][CH2:3][O:4][C@H:5]1[CH2:6][CH2:7][C@:8]2([CH3:9])[C@H:10]([CH2:11][CH2:12][C@@H:13]3[C@H:14]4[CH2:15][C:16](=[O:17])[CH2:18][C@:19]4([CH3:20])[CH2:21][CH2:22][C@@H:23]23)[CH2:24]1>CCO.O.B.[Na+]>[CH3:1][O:2][CH2:3][O:4][C@H:5]1[CH2:6][CH2:7][C@:8]2([CH3:9])[C@H:10]([CH2:11][CH2:12][C@@H:13]3[C@H:14]4[CH2:15][C@@H:16]([OH:17])[CH2:18][C@:19]4([CH3:20])[CH2:21][CH2:22][C@@H:23]23)[CH2:24]1 AVUSMGMLRNAJRW-MMRYFLFJSA-N>>SJRIWHRNWXSMTQ-BWTDTTKRSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][c:2]1[cH:3][s:4][cH:5][c:6]1[C:7]([CH3:8])=[O:9]>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.Cl.O>[CH3:1][c:2]1[cH:3][s:4][cH:5][c:6]1[C@@H:7]([CH3:8])[OH:9] MWJUEDMZAKLZPT-UHFFFAOYSA-N>>BPTAAJBOXVKGCU-ZCFIWIBFSA-N 0.0 Unrecognized False reagent controlled False [#16;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[C;D1;H3:5])-[OH;D1;+0:6]>>[#16;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C;D1;H3:5])=[O;H0;D1;+0:6] 81140bf5833526736f9b408e7c6e9600135a22457445673ebc0febc54d5161b4 [CH3:1][C:2](=[O:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH:10]=[C:11]4[CH2:12][C:13]5([CH2:14][CH2:15][C@:16]4([CH3:17])[C@H:18]3[C@@H:19]([OH:20])[CH2:21][C@:22]12[CH3:23])[O:24][CH2:25][CH2:26][O:27]5>C1CCOC1.B.[Na+]>[CH3:1][C@@H:2]([OH:3])[C@H:4]1[CH2:5][CH2:6][C@H:7]2[C@@H:8]3[CH2:9][CH:10]=[C:11]4[CH2:12][C:13]5([CH2:14][CH2:15][C@:16]4([CH3:17])[C@H:18]3[C@@H:19]([OH:20])[CH2:21][C@:22]12[CH3:23])[O:24][CH2:25][CH2:26][O:27]5 XLLXDJBWNDSUFV-CNOZFFSMSA-N>>JVWMNZQNBNTGSJ-SHFMOXJVSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C;D1;H3:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][N:2]([CH3:3])[C:4](=[O:5])[C@H:6]1[CH2:7][CH2:8][C@H:9]2[C@@H:10]3[CH2:11][CH2:12][C:13]4=[CH:14][C:15](=[O:16])[CH2:17][CH2:18][C@:19]4([CH3:20])[C@H:21]3[C@@H:22]([OH:23])[CH2:24][C@:25]12[CH3:26]>CCO.B.[Na+]>[CH3:1][N:2]([CH3:3])[C:4](=[O:5])[C@H:6]1[CH2:7][CH2:8][C@H:9]2[C@@H:10]3[CH2:11][CH2:12][C:13]4=[CH:14][C@@H:15]([OH:16])[CH2:17][CH2:18][C@:19]4([CH3:20])[C@H:21]3[C@@H:22]([OH:23])[CH2:24][C@:25]12[CH3:26] ZYDZBDNGTGGOCB-CQHGLTIFSA-N>>PSTZSIWFZRFKFL-CHVLWZAPSA-N 0.0 Unrecognized False substrate controlled False [C:1]=[C:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[C:1]=[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 3d438d587d87521e60f8311dfb4f60605630598ea592a8172db481577c2b213e [CH3:1][C@:2]12[CH2:3][CH2:4][C:5](=[O:6])[CH2:7][CH:8]1[CH2:9][CH2:10][C@@H:11]1[C@@H:12]2[C@@H:13]([OH:14])[CH2:15][C@:16]2([CH3:17])[C@@H:18]([C:19](=[O:20])[OH:21])[CH2:22][CH2:23][C@@H:24]12>C1CCOC1.CCO.B.[Na+]>[CH3:1][C@:2]12[CH2:3][CH2:4][C@H:5]([OH:6])[CH2:7][CH:8]1[CH2:9][CH2:10][C@@H:11]1[C@@H:12]2[C@@H:13]([OH:14])[CH2:15][C@:16]2([CH3:17])[C@@H:18]([C:19](=[O:20])[OH:21])[CH2:22][CH2:23][C@@H:24]12 UFCSSTVFXMPCBF-MWPQTPSLSA-N>>AAXBNBYUDJCFEG-LVABPMMESA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 Cc1ccc(S(=O)(=O)O[C@H:8]([CH2:7][CH:5]([CH2:4][CH2:3][CH:2]=[CH2:1])[CH3:6])[CH2:9][O:10][CH3:11])cc1.[CH2:12]([N:13]=[C:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[C:27](=[O:28])[O:29][CH2:30][CH3:31]>CC(C)(C)O.Cc1ccccc1.[K+]>[CH2:1]=[CH:2][CH2:3][CH2:4][CH:5]([CH3:6])[CH2:7][C@@H:8]([CH2:9][O:10][CH3:11])[CH:12]([N:13]=[C:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[C:27](=[O:28])[O:29][CH2:30][CH3:31] LYGKVDJSLXDESJ-OEMAIJDKSA-N.QUGJYNGNUBHTNS-UHFFFAOYSA-N>>UFHDAPIEPQKXTN-DOXRDRLYSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3])-[CH;D3;+0:9](-[#7:10]=[C:11](-[c:12]1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)-[c:18]1:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:1)-[C:7](=[O;D1;H0:8])-[#8:6]-[C:5]-[C;D1;H3:4]>>C-c1:c:c:c(-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]):c:c:1.[C;D1;H3:4]-[C:5]-[#8:6]-[C:7](=[O;D1;H0:8])-[CH2;D2;+0:9]-[#7:10]=[C:11](-[c:12]1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)-[c:18]1:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:1 8128c007ca7c4794c79055110d01e6a8e82728019aa951d6ab77de639cff93d7 Cc1ccc(S(=O)(=O)O[C@H:7]([CH2:6][CH2:5][CH2:4][CH2:3][CH:2]=[CH2:1])[CH2:8][O:9][CH3:10])cc1.[CH2:11]([N:12]=[C:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[C:26](=[O:27])[O:28][CH2:29][CH3:30]>CC(C)(C)O.Cc1ccccc1.[K+]>[CH2:1]=[CH:2][CH2:3][CH2:4][CH2:5][CH2:6][C@@H:7]([CH2:8][O:9][CH3:10])[CH:11]([N:12]=[C:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[C:26](=[O:27])[O:28][CH2:29][CH3:30] DKBFUBDCJQYAIN-OAHLLOKOSA-N.QUGJYNGNUBHTNS-UHFFFAOYSA-N>>ZOQQAICSVHBVCA-LFQPHHBNSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3])-[CH;D3;+0:9](-[#7:10]=[C:11](-[c:12]1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)-[c:18]1:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:1)-[C:7](=[O;D1;H0:8])-[#8:6]-[C:5]-[C;D1;H3:4]>>C-c1:c:c:c(-S(=O)(=O)-O-[C@H;D3;+0:1](-[C:2])-[C:3]):c:c:1.[C;D1;H3:4]-[C:5]-[#8:6]-[C:7](=[O;D1;H0:8])-[CH2;D2;+0:9]-[#7:10]=[C:11](-[c:12]1:[c:13]:[c:14]:[c:15]:[c:16]:[c:17]:1)-[c:18]1:[c:19]:[c:20]:[c:21]:[c:22]:[c:23]:1 8128c007ca7c4794c79055110d01e6a8e82728019aa951d6ab77de639cff93d7 Br[CH2:14][c:15]1[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]1.[CH3:1][CH2:2][CH2:3][C@H:4]([C:5](=[O:6])[O:7][CH2:8][CH3:9])[N:10]1[C:11](=[O:12])[CH2:13][O:22][C@@H:23]([c:24]2[cH:25][cH:26][c:27]([Cl:28])[cH:29][cH:30]2)[C@H:31]1[c:32]1[cH:33][cH:34][c:35]([Cl:36])[cH:37][cH:38]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][CH2:2][CH2:3][C@H:4]([C:5](=[O:6])[O:7][CH2:8][CH3:9])[N:10]1[C:11](=[O:12])[C@H:13]([CH2:14][c:15]2[cH:16][cH:17][c:18]([F:19])[cH:20][cH:21]2)[O:22][C@@H:23]([c:24]2[cH:25][cH:26][c:27]([Cl:28])[cH:29][cH:30]2)[C@H:31]1[c:32]1[cH:33][cH:34][c:35]([Cl:36])[cH:37][cH:38]1 JVBQMAWPDTXHER-FCEUIQTBSA-N.NVNPLEPBDPJYRZ-UHFFFAOYSA-N>>QXSCJEBAAFGEOF-GCFVYEKYSA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[#8:7]-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]-[C:4](=[O;D1;H0:5])-[CH2;D2;+0:6]-[#8:7]-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1 6c7f75402c5ccdbc705b71bbe27915ebbb34a5be2030ed65f1e68c7664141b98 Br[CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[CH3:1][CH2:2][CH2:3][C@H:4]([C:5](=[O:6])[O:7][CH2:8][CH3:9])[N:10]1[C:11](=[O:12])[CH2:13][O:21][C@@H:22]([c:23]2[cH:24][cH:25][c:26]([Cl:27])[cH:28][cH:29]2)[C@H:30]1[c:31]1[cH:32][cH:33][c:34]([Cl:35])[cH:36][cH:37]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH3:1][CH2:2][CH2:3][C@H:4]([C:5](=[O:6])[O:7][CH2:8][CH3:9])[N:10]1[C:11](=[O:12])[C@H:13]([CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[O:21][C@@H:22]([c:23]2[cH:24][cH:25][c:26]([Cl:27])[cH:28][cH:29]2)[C@H:30]1[c:31]1[cH:32][cH:33][c:34]([Cl:35])[cH:36][cH:37]1 AGEZXYOZHKGVCM-UHFFFAOYSA-N.JVBQMAWPDTXHER-FCEUIQTBSA-N>>CAXQNTPOFITQJA-GCFVYEKYSA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[#8:7]-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]-[C:4](=[O;D1;H0:5])-[CH2;D2;+0:6]-[#8:7]-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1 6c7f75402c5ccdbc705b71bbe27915ebbb34a5be2030ed65f1e68c7664141b98 Br[CH2:14][c:15]1[c:16]([C:17]#[N:18])[cH:19][c:20]([F:21])[cH:22][cH:23]1.[CH3:1][CH2:2][CH2:3][C@H:4]([C:5](=[O:6])[O:7][CH2:8][CH3:9])[N:10]1[C:11](=[O:12])[CH2:13][O:24][C@@H:25]([c:26]2[cH:27][cH:28][c:29]([Cl:30])[cH:31][cH:32]2)[C@H:33]1[c:34]1[cH:35][cH:36][c:37]([Cl:38])[cH:39][cH:40]1>>[CH3:1][CH2:2][CH2:3][C@H:4]([C:5](=[O:6])[O:7][CH2:8][CH3:9])[N:10]1[C:11](=[O:12])[C@H:13]([CH2:14][c:15]2[c:16]([C:17]#[N:18])[cH:19][c:20]([F:21])[cH:22][cH:23]2)[O:24][C@@H:25]([c:26]2[cH:27][cH:28][c:29]([Cl:30])[cH:31][cH:32]2)[C@H:33]1[c:34]1[cH:35][cH:36][c:37]([Cl:38])[cH:39][cH:40]1 JVBQMAWPDTXHER-FCEUIQTBSA-N.SROUFENEQQOQIW-UHFFFAOYSA-N>>HCCRAWIBLSBETA-AIQXTLEGSA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[#8:7]-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]-[C:4](=[O;D1;H0:5])-[CH2;D2;+0:6]-[#8:7]-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1 6c7f75402c5ccdbc705b71bbe27915ebbb34a5be2030ed65f1e68c7664141b98 Br[CH2:14][c:15]1[cH:16][c:17]([I:18])[cH:19][cH:20][cH:21]1.[CH3:1][CH2:2][CH2:3][C@H:4]([C:5](=[O:6])[O:7][CH2:8][CH3:9])[N:10]1[C:11](=[O:12])[CH2:13][O:22][C@@H:23]([c:24]2[cH:25][cH:26][c:27]([Cl:28])[cH:29][cH:30]2)[C@H:31]1[c:32]1[cH:33][cH:34][c:35]([Cl:36])[cH:37][cH:38]1>>[CH3:1][CH2:2][CH2:3][C@H:4]([C:5](=[O:6])[O:7][CH2:8][CH3:9])[N:10]1[C:11](=[O:12])[C@H:13]([CH2:14][c:15]2[cH:16][c:17]([I:18])[cH:19][cH:20][cH:21]2)[O:22][C@@H:23]([c:24]2[cH:25][cH:26][c:27]([Cl:28])[cH:29][cH:30]2)[C@H:31]1[c:32]1[cH:33][cH:34][c:35]([Cl:36])[cH:37][cH:38]1 BACZSVQZBSCWIG-UHFFFAOYSA-N.JVBQMAWPDTXHER-FCEUIQTBSA-N>>CYOFKMGTICCSHG-GCFVYEKYSA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[#8:7]-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]-[C:4](=[O;D1;H0:5])-[CH2;D2;+0:6]-[#8:7]-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1 6c7f75402c5ccdbc705b71bbe27915ebbb34a5be2030ed65f1e68c7664141b98 Br[CH2:14][c:15]1[c:16]([C:17]#[N:18])[cH:19][c:20]([S:21][CH3:22])[cH:23][cH:24]1.[CH3:1][CH2:2][CH2:3][C@H:4]([C:5](=[O:6])[O:7][CH2:8][CH3:9])[N:10]1[C:11](=[O:12])[CH2:13][O:25][C@@H:26]([c:27]2[cH:28][cH:29][c:30]([Cl:31])[cH:32][cH:33]2)[C@H:34]1[c:35]1[cH:36][cH:37][c:38]([Cl:39])[cH:40][cH:41]1>>[CH3:1][CH2:2][CH2:3][C@H:4]([C:5](=[O:6])[O:7][CH2:8][CH3:9])[N:10]1[C:11](=[O:12])[C@H:13]([CH2:14][c:15]2[c:16]([C:17]#[N:18])[cH:19][c:20]([S:21][CH3:22])[cH:23][cH:24]2)[O:25][C@@H:26]([c:27]2[cH:28][cH:29][c:30]([Cl:31])[cH:32][cH:33]2)[C@H:34]1[c:35]1[cH:36][cH:37][c:38]([Cl:39])[cH:40][cH:41]1 FKTJMWZNWXPOJR-UHFFFAOYSA-N.JVBQMAWPDTXHER-FCEUIQTBSA-N>>ZMNLITZALXQREF-ATIZSFMBSA-N 0.0 Unrecognized False substrate controlled False [#7:3]-[C:4](=[O;D1;H0:5])-[C@@H;D3;+0:6](-[#8:7]-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1)-[CH2;D2;+0:1]-[c:2]>>Br-[CH2;D2;+0:1]-[c:2].[#7:3]-[C:4](=[O;D1;H0:5])-[CH2;D2;+0:6]-[#8:7]-[C:8]-[c:9]1:[c:10]:[c:11]:[c:12]:[c:13]:[c:14]:1 6c7f75402c5ccdbc705b71bbe27915ebbb34a5be2030ed65f1e68c7664141b98 [CH3:1][C@@H:2]1[CH2:3][C:4](=[O:5])[CH2:6][C@H:7]2[CH2:8][C:9]([CH2:10][OH:11])=[CH:12][C@@:13]12[CH3:14]>C1CCOC1.CCOC(C)=O.N.[Li]>[CH3:1][C@@H:2]1[CH2:3][C@H:4]([OH:5])[CH2:6][C@H:7]2[CH2:8][C:9]([CH2:10][OH:11])=[CH:12][C@@:13]12[CH3:14] LOFLONJMXWMASX-UISBYWKRSA-N>>REIATZPHESEJFS-YJQGPUDQSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 O[OH:12].[CH3:1][C@@H:2]1[CH2:3][C@H:4]([OH:5])[CH2:6][C@H:7]2[CH2:8][C:9]([CH:10]=[O:11])=[CH:13][C@@:14]12[CH3:15]>CCOCC.CO.[Na+].O>[CH3:1][C@@H:2]1[CH2:3][C@H:4]([OH:5])[CH2:6][C@H:7]2[CH2:8][C@:9]3([CH:10]=[O:11])[O:12][C@@H:13]3[C@@:14]12[CH3:15] FXIGFMGPOPTBFU-YJQGPUDQSA-N.MHAJPDPJQMAIIY-UHFFFAOYSA-N>>UTGWCUPZCWJETA-HRSIUBJKSA-N 0.0 Unrecognized True substrate controlled False [C@;H0;D4;+0:2]1-[C@H;D3;+0:3]-[O;H0;D2;+0:1]-1>>O-[OH;D1;+0:1].[C;H0;D3;+0:2]=[CH;D2;+0:3] cf25a9007427bead49ad83cec34a1e91992b6103a78be53a1360c44a38b88cf5 [CH3:1][c:2]1[cH:3][s:4][cH:5][c:6]1[C:7]([CH3:8])=[O:9]>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.Cl.O>[CH3:1][c:2]1[cH:3][s:4][cH:5][c:6]1[C@@H:7]([CH3:8])[OH:9] MWJUEDMZAKLZPT-UHFFFAOYSA-N>>BPTAAJBOXVKGCU-ZCFIWIBFSA-N 0.0 Unrecognized False reagent controlled True [#16;a:1]:[c:2]:[c:3]-[C@H;D3;+0:4](-[C;D1;H3:5])-[OH;D1;+0:6]>>[#16;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](-[C;D1;H3:5])=[O;H0;D1;+0:6] 610e51149fb24fc55c3b7d341967cddf460dc8529068ac786a593a0608a512b9 O[OH:11].[CH3:1][C@@H:2]1[CH2:3][CH:4]=[CH:5][C@H:6]2[CH2:7][C:8]([CH:9]=[O:10])=[CH:12][C@@:13]12[CH3:14]>CCOCC.CO.[Na+].O>[CH3:1][C@@H:2]1[CH2:3][CH:4]=[CH:5][C@H:6]2[CH2:7][C@:8]3([CH:9]=[O:10])[O:11][C@@H:12]3[C@@:13]12[CH3:14] GTDQNJXSNHHKQG-USWWRNFRSA-N.MHAJPDPJQMAIIY-UHFFFAOYSA-N>>WDYGACOLLNGOIQ-CSYMLDBXSA-N 0.0 Unrecognized True substrate controlled False [C@;H0;D4;+0:2]1-[C@H;D3;+0:3]-[O;H0;D2;+0:1]-1>>O-[OH;D1;+0:1].[C;H0;D3;+0:2]=[CH;D2;+0:3] cf25a9007427bead49ad83cec34a1e91992b6103a78be53a1360c44a38b88cf5 [CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[C:6](=[O:7])[c:8]1[c:9]([CH2:10][C:11]([CH3:12])=[O:13])[cH:14][c:15]([Br:16])[cH:17][cH:18]1>CC#N.CS(C)=O.O=C(O)O.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=P(O)(O)O.[K+].[K+]>[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[C:6](=[O:7])[c:8]1[c:9]([CH2:10][C@@H:11]([CH3:12])[OH:13])[cH:14][c:15]([Br:16])[cH:17][cH:18]1 KEWOVXQEJGLTFA-UHFFFAOYSA-N>>JJPPLEHAWPLLKZ-SNVBAGLBSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[C;D1;H3:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d Br[Mg][CH3:26].[CH3:1][O:2][C:3](=[O:4])[C@H:5]([CH2:6][O:7][CH2:8][C@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]([CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH:25]=[O:27])[NH:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35]>ClCCl.O=C=O>[CH3:1][O:2][C:3](=[O:4])[C@H:5]([CH2:6][O:7][CH2:8][C@H:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[C@@H:17]([CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[C@@H:25]([CH3:26])[OH:27])[NH:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35] AVFUHBJCUUTGCD-UHFFFAOYSA-M.GZSHTNFBCHQSTO-HJOGWXRNSA-N>>SRZYDDLZGAZUFQ-OCFYOKIWSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:3](-[CH3;D1;+0:1])-[OH;D1;+0:4]>>Br-[Mg]-[CH3;D1;+0:1].[C:2]-[CH;D2;+0:3]=[O;H0;D1;+0:4] 99aac8a0630883d0a1a9bce0d5fae7f6a9e888d034cce99712544a53187b1371 [CH3:1][C:2](=[O:3])[c:4]1[cH:5][c:6]([Cl:7])[cH:8][c:9]([Cl:10])[cH:11]1>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.Cc1ccccc1>[CH3:1][C@@H:2]([OH:3])[c:4]1[cH:5][c:6]([Cl:7])[cH:8][c:9]([Cl:10])[cH:11]1 JGMBBKVZFUHCJC-UHFFFAOYSA-N>>URTUBSJCDSAWGE-RXMQYKEDSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[C@@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] d7fc540cc874a3ba947799255fbf9c5e4f915dbc25d25f31745b8f04dc7491b8 Cc1ccc(S(=O)(=O)O[C@H:2]([CH3:1])[c:3]2[cH:4][c:5]([Cl:6])[cH:7][c:8]([Cl:9])[cH:10]2)cc1.[NH:11]1[CH2:12][CH2:13][C:14]([CH3:15])([CH2:16][O:17][c:18]2[cH:19][c:20]3[n:21][n:22][c:23]([Br:24])[n:25]3[cH:26][c:27]2[CH:28]2[CH2:29][CH2:30]2)[CH2:31][CH2:32]1>CN(C)C=O.Cl.O.O=C(O)O.[K+].[K+]>[CH3:1][C@@H:2]([c:3]1[cH:4][c:5]([Cl:6])[cH:7][c:8]([Cl:9])[cH:10]1)[N:11]1[CH2:12][CH2:13][C:14]([CH3:15])([CH2:16][O:17][c:18]2[cH:19][c:20]3[n:21][n:22][c:23]([Br:24])[n:25]3[cH:26][c:27]2[CH:28]2[CH2:29][CH2:30]2)[CH2:31][CH2:32]1 FZNSPXZCQZYDQJ-LLVKDONJSA-N.KATUTDUMNJBMQM-UHFFFAOYSA-N>>HUFLWMLPXCXKRZ-HNNXBMFYSA-N 0.0 Unrecognized False stereospecific False [C:4]-[N;H0;D3;+0:5](-[C:6])-[C@@H;D3;+0:1](-[C;D1;H3:2])-[c:3]>>C-c1:c:c:c(-S(=O)(=O)-O-[C@H;D3;+0:1](-[C;D1;H3:2])-[c:3]):c:c:1.[C:4]-[NH;D2;+0:5]-[C:6] cfee57c7603912d6031f6047b8126d18a51c3cf7615b8bb75b6a3120a9b6d024 C[S+](C)(=O)[CH3:11].[CH3:1][CH2:2][CH2:3][CH2:4][O:5][C:6](=[O:7])[C@@H:8]1[CH2:9][C:10](=[O:12])[CH2:13][C:14]([CH3:15])([CH3:16])[O:17]1>CC(C)(C)O.CS(C)=O.I.[K+]>[CH3:1][CH2:2][CH2:3][CH2:4][O:5][C:6](=[O:7])[C@@H:8]1[CH2:9][C@:10]2([CH2:11][O:12]2)[CH2:13][C:14]([CH3:15])([CH3:16])[O:17]1 AYFPWWUYHJYXDU-JTQLQIEISA-N.YRYSAWZMIRQUBO-UHFFFAOYSA-N>>LWWZIJSAEQXATC-GXFFZTMASA-N 0.0 Unrecognized True substrate controlled False [C@;H0;D4;+0:2]1-[CH2;D2;+0:1]-[O;H0;D2;+0:3]-1>>C-[S+](-C)(=O)-[CH3;D1;+0:1].[C;H0;D3;+0:2]=[O;H0;D1;+0:3] 51db9ad6707da4b8978e9261b081e37659c621a6e1b173ca5e687d3eb4e41f2c CS(=O)(=O)O[C@H:9]1[CH2:10][CH2:11][C@@H:12]([CH3:13])[N:14]([C:15](=[O:16])[c:17]2[c:18](-[n:19]3[n:20][cH:21][cH:22][n:23]3)[cH:24][cH:25][cH:26][cH:27]2)[CH2:28]1.[CH3:1][CH:2]([CH3:3])[O:4][c:5]1[cH:6][c:7]([OH:8])[n:29][cH:30][cH:31]1>CN(C)C=O.O=C(O)O.[Cs+].[Cs+]>[CH3:1][CH:2]([CH3:3])[O:4][c:5]1[cH:6][c:7]([O:8][C@@H:9]2[CH2:10][CH2:11][C@@H:12]([CH3:13])[N:14]([C:15](=[O:16])[c:17]3[c:18](-[n:19]4[n:20][cH:21][cH:22][n:23]4)[cH:24][cH:25][cH:26][cH:27]3)[CH2:28]2)[n:29][cH:30][cH:31]1 HRQGHRVKFJXYAA-UHFFFAOYSA-N.ZVIKDQJVPQCIHV-OLZOCXBDSA-N>>PIBCCHNPLPHSJH-IEBWSBKVSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:7]-[c:6]:[#7;a:5]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[#7;a:5]:[c:6]-[OH;D1;+0:7] 9bd7f4add148f38c537fe257dc11289747f2c22dfafbe4125aca74e445feced4 CS(=O)(=O)O[C@H:7]1[CH2:8][CH2:9][C@@H:10]([CH3:11])[N:12]([C:13](=[O:14])[O:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH2:23]1.[CH3:1][O:2][c:3]1[cH:4][c:5]([OH:6])[n:24][cH:25][cH:26]1>CN(C)C=O.O=C(O)O.O=C(O)O.[Cs+].[Cs+].[Na+]>[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][C@@H:7]2[CH2:8][CH2:9][C@@H:10]([CH3:11])[N:12]([C:13](=[O:14])[O:15][CH2:16][c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[CH2:23]2)[n:24][cH:25][cH:26]1 BZIUQZRSHNDQTH-UHFFFAOYSA-N.CQCOWBFXEHVVCL-OCCSQVGLSA-N>>WDCADBFATJYPEX-CRAIPNDOSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:7]-[c:6]:[#7;a:5]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[#7;a:5]:[c:6]-[OH;D1;+0:7] 9bd7f4add148f38c537fe257dc11289747f2c22dfafbe4125aca74e445feced4 [CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][n:7]2[cH:8][c:9]([CH3:10])[c:11]([C:12](=[O:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([O:19][S:20](=[O:21])(=[O:22])[C:23]([F:24])([F:25])[F:26])[c:27]2[cH:28]1>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][n:7]2[cH:8][c:9]([CH3:10])[c:11]([C@H:12]([OH:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([O:19][S:20](=[O:21])(=[O:22])[C:23]([F:24])([F:25])[F:26])[c:27]2[cH:28]1 YRWYTYVWVPILAD-UHFFFAOYSA-N>>SSQLTWMJURBECB-JTQLQIEISA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] 337cde4923ea3e390bc22368ecb7dcba62ee9a2cc54b39783dfdf823ddc6fd21 [CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][n:7]2[cH:8][c:9]([CH3:10])[c:11]([C:12](=[O:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([N:19]3[CH2:20][CH2:21][C:22]([CH3:23])([CH3:24])[CH2:25][CH2:26]3)[c:27]2[cH:28]1>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][n:7]2[cH:8][c:9]([CH3:10])[c:11]([C@H:12]([OH:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([N:19]3[CH2:20][CH2:21][C:22]([CH3:23])([CH3:24])[CH2:25][CH2:26]3)[c:27]2[cH:28]1 CEKHKRWUORBWBJ-UHFFFAOYSA-N>>HRIZJZPBSQFHDQ-KRWDZBQOSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] 337cde4923ea3e390bc22368ecb7dcba62ee9a2cc54b39783dfdf823ddc6fd21 [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[c:8]([O:9][S:10](=[O:11])(=[O:12])[C:13]([F:14])([F:15])[F:16])[c:17]2[c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[n:24][n:25]2[cH:26][c:27]1[CH3:28]>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([OH:6])[c:7]1[c:8]([O:9][S:10](=[O:11])(=[O:12])[C:13]([F:14])([F:15])[F:16])[c:17]2[c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[n:24][n:25]2[cH:26][c:27]1[CH3:28] JATOUDXQMOPREQ-UHFFFAOYSA-N>>PKBCAPCZSSZJEE-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] 337cde4923ea3e390bc22368ecb7dcba62ee9a2cc54b39783dfdf823ddc6fd21 [CH2:1]=[CH:2][CH2:3][CH2:4][C:5]1([CH3:6])[CH2:7][CH2:8][N:9]([c:10]2[c:11]([C:12](=[O:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([CH3:19])[cH:20][n:21]3[n:22][c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][c:29]23)[CH2:30][CH2:31]1>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH2:1]=[CH:2][CH2:3][CH2:4][C:5]1([CH3:6])[CH2:7][CH2:8][N:9]([c:10]2[c:11]([C@H:12]([OH:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([CH3:19])[cH:20][n:21]3[n:22][c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][c:29]23)[CH2:30][CH2:31]1 PMUGRPLKLYROHJ-UHFFFAOYSA-N>>NLRRUUMWVWFTFN-FQEVSTJZSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] 337cde4923ea3e390bc22368ecb7dcba62ee9a2cc54b39783dfdf823ddc6fd21 [CH2:1]=[CH:2][CH2:3][O:4][C:5]1([CH3:6])[CH2:7][CH2:8][N:9]([c:10]2[c:11]([C:12](=[O:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([CH3:19])[cH:20][n:21]3[n:22][c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][c:29]23)[CH2:30][CH2:31]1>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH2:1]=[CH:2][CH2:3][O:4][C:5]1([CH3:6])[CH2:7][CH2:8][N:9]([c:10]2[c:11]([C@H:12]([OH:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([CH3:19])[cH:20][n:21]3[n:22][c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][c:29]23)[CH2:30][CH2:31]1 WNFXCPFNPRRZRY-UHFFFAOYSA-N>>FMWYDDGHWAQGIY-IBGZPJMESA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] 337cde4923ea3e390bc22368ecb7dcba62ee9a2cc54b39783dfdf823ddc6fd21 [CH2:1]=[CH:2][CH2:3][O:4][C:5]1([CH3:6])[CH2:7][CH2:8][N:9]([c:10]2[c:11]([C:12](=[O:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([CH3:19])[cH:20][n:21]3[n:22][c:23](-[c:24]4[cH:25][c:26]([Br:27])[cH:28][cH:29][cH:30]4)[cH:31][c:32]23)[CH2:33][CH2:34]1>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CC#N.CCOC(C)=O.Cc1ccccc1.O=C=O>[CH2:1]=[CH:2][CH2:3][O:4][C:5]1([CH3:6])[CH2:7][CH2:8][N:9]([c:10]2[c:11]([C@H:12]([OH:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([CH3:19])[cH:20][n:21]3[n:22][c:23](-[c:24]4[cH:25][c:26]([Br:27])[cH:28][cH:29][cH:30]4)[cH:31][c:32]23)[CH2:33][CH2:34]1 JZKDGWWFEKWVCQ-UHFFFAOYSA-N>>KRLIYTBGZKIVLR-DEOSSOPVSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] 337cde4923ea3e390bc22368ecb7dcba62ee9a2cc54b39783dfdf823ddc6fd21 [CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[C:6](=[O:7])[c:8]1[c:9]([CH2:10][C:11]([CH3:12])=[O:13])[cH:14][c:15]([Br:16])[cH:17][cH:18]1>CC#N.CS(C)=O.O=C(O)O.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=P(O)(O)O.[K+].[K+]>[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[C:6](=[O:7])[c:8]1[c:9]([CH2:10][C@@H:11]([CH3:12])[OH:13])[cH:14][c:15]([Br:16])[cH:17][cH:18]1 KEWOVXQEJGLTFA-UHFFFAOYSA-N>>JJPPLEHAWPLLKZ-SNVBAGLBSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[C;D1;H3:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 [CH3:1][C:2](=[O:3])[c:4]1[cH:5][c:6]([Cl:7])[cH:8][c:9]([Cl:10])[cH:11]1>C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12.Cc1ccccc1>[CH3:1][C@@H:2]([OH:3])[c:4]1[cH:5][c:6]([Cl:7])[cH:8][c:9]([Cl:10])[cH:11]1 JGMBBKVZFUHCJC-UHFFFAOYSA-N>>URTUBSJCDSAWGE-RXMQYKEDSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C;D1;H3:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][n:7]2[cH:8][c:9]([CH3:10])[c:11]([C:12](=[O:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([O:19][S:20](=[O:21])(=[O:22])[C:23]([F:24])([F:25])[F:26])[c:27]2[cH:28]1>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][n:7]2[cH:8][c:9]([CH3:10])[c:11]([C@H:12]([OH:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([O:19][S:20](=[O:21])(=[O:22])[C:23]([F:24])([F:25])[F:26])[c:27]2[cH:28]1 YRWYTYVWVPILAD-UHFFFAOYSA-N>>SSQLTWMJURBECB-JTQLQIEISA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] 074ef2903a7fab68b183f3b3af90b5fb0f95b908920f7c9d7db8dce536ce27b5 [CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][n:7]2[cH:8][c:9]([CH3:10])[c:11]([C:12](=[O:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([N:19]3[CH2:20][CH2:21][C:22]([CH3:23])([CH3:24])[CH2:25][CH2:26]3)[c:27]2[cH:28]1>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][n:7]2[cH:8][c:9]([CH3:10])[c:11]([C@H:12]([OH:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([N:19]3[CH2:20][CH2:21][C:22]([CH3:23])([CH3:24])[CH2:25][CH2:26]3)[c:27]2[cH:28]1 CEKHKRWUORBWBJ-UHFFFAOYSA-N>>HRIZJZPBSQFHDQ-KRWDZBQOSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] 074ef2903a7fab68b183f3b3af90b5fb0f95b908920f7c9d7db8dce536ce27b5 [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[c:8]([O:9][S:10](=[O:11])(=[O:12])[C:13]([F:14])([F:15])[F:16])[c:17]2[c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[n:24][n:25]2[cH:26][c:27]1[CH3:28]>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([OH:6])[c:7]1[c:8]([O:9][S:10](=[O:11])(=[O:12])[C:13]([F:14])([F:15])[F:16])[c:17]2[c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[n:24][n:25]2[cH:26][c:27]1[CH3:28] JATOUDXQMOPREQ-UHFFFAOYSA-N>>PKBCAPCZSSZJEE-ZDUSSCGKSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] 074ef2903a7fab68b183f3b3af90b5fb0f95b908920f7c9d7db8dce536ce27b5 [CH2:1]=[CH:2][CH2:3][CH2:4][C:5]1([CH3:6])[CH2:7][CH2:8][N:9]([c:10]2[c:11]([C:12](=[O:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([CH3:19])[cH:20][n:21]3[n:22][c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][c:29]23)[CH2:30][CH2:31]1>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH2:1]=[CH:2][CH2:3][CH2:4][C:5]1([CH3:6])[CH2:7][CH2:8][N:9]([c:10]2[c:11]([C@H:12]([OH:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([CH3:19])[cH:20][n:21]3[n:22][c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][c:29]23)[CH2:30][CH2:31]1 PMUGRPLKLYROHJ-UHFFFAOYSA-N>>NLRRUUMWVWFTFN-FQEVSTJZSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] 074ef2903a7fab68b183f3b3af90b5fb0f95b908920f7c9d7db8dce536ce27b5 [CH2:1]=[CH:2][CH2:3][O:4][C:5]1([CH3:6])[CH2:7][CH2:8][N:9]([c:10]2[c:11]([C:12](=[O:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([CH3:19])[cH:20][n:21]3[n:22][c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][c:29]23)[CH2:30][CH2:31]1>CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CCOC(C)=O.Cc1ccccc1.Cc1ccccc1.O=C(O)O.[Na+].[Na+]>[CH2:1]=[CH:2][CH2:3][O:4][C:5]1([CH3:6])[CH2:7][CH2:8][N:9]([c:10]2[c:11]([C@H:12]([OH:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([CH3:19])[cH:20][n:21]3[n:22][c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][c:29]23)[CH2:30][CH2:31]1 WNFXCPFNPRRZRY-UHFFFAOYSA-N>>FMWYDDGHWAQGIY-IBGZPJMESA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] 074ef2903a7fab68b183f3b3af90b5fb0f95b908920f7c9d7db8dce536ce27b5 [CH2:1]=[CH:2][CH2:3][O:4][C:5]1([CH3:6])[CH2:7][CH2:8][N:9]([c:10]2[c:11]([C:12](=[O:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([CH3:19])[cH:20][n:21]3[n:22][c:23](-[c:24]4[cH:25][c:26]([Br:27])[cH:28][cH:29][cH:30]4)[cH:31][c:32]23)[CH2:33][CH2:34]1>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.CC#N.CCOC(C)=O.Cc1ccccc1.O=C=O>[CH2:1]=[CH:2][CH2:3][O:4][C:5]1([CH3:6])[CH2:7][CH2:8][N:9]([c:10]2[c:11]([C@H:12]([OH:13])[C:14](=[O:15])[O:16][CH3:17])[c:18]([CH3:19])[cH:20][n:21]3[n:22][c:23](-[c:24]4[cH:25][c:26]([Br:27])[cH:28][cH:29][cH:30]4)[cH:31][c:32]23)[CH2:33][CH2:34]1 JZKDGWWFEKWVCQ-UHFFFAOYSA-N>>KRLIYTBGZKIVLR-DEOSSOPVSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] 074ef2903a7fab68b183f3b3af90b5fb0f95b908920f7c9d7db8dce536ce27b5 C[N+]1([O-:9])CCOCC1.[O:1]=[C:2]([CH2:3][C@@H:4]1[CH2:5][CH:6]=[CH:8][CH2:10][CH2:11][C:12](=[O:13])[O:14][C@H:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22][NH:23][C:24]1=[O:25])[NH:26][CH2:27][c:28]1[cH:29][cH:30][c:31]([Cl:32])[cH:33][cH:34]1.[OH2:7]>C1CCOC1.CC(C)(C)O>[O:1]=[C:2]([CH2:3][C@@H:4]1[CH2:5][C@@H:6]([OH:7])[C@H:8]([OH:9])[CH2:10][CH2:11][C:12](=[O:13])[O:14][C@H:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22][NH:23][C:24]1=[O:25])[NH:26][CH2:27][c:28]1[cH:29][cH:30][c:31]([Cl:32])[cH:33][cH:34]1 DRDSZZCLAHXSAE-UNMCSNQZSA-N.LFTLOKWAGJYHHR-UHFFFAOYSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>JNBPHJITZXHELO-PDGJWGCVSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:3](-[OH;D1;+0:1])-[C@@H;D3;+0:4](-[C:5])-[OH;D1;+0:6]>>C-[N+]1(-[O-;H0;D1:1])-C-C-O-C-C-1.[C:2]-[CH;D2;+0:3]=[CH;D2;+0:4]-[C:5].[OH2;D0;+0:6] c24174bd26640e87b752fe3cea92b29cbb5bb94acf2584663ab0779941d2733b CC(C)(C)[OH:7].C[N+]1([O-:9])CCOCC1.[O:1]=[C:2]([CH2:3][C@@H:4]1[CH2:5][CH:6]=[CH:8][CH2:10][CH2:11][C:12](=[O:13])[O:14][C@H:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22][NH:23][C:24]1=[O:25])[NH:26][C@@H:27]1[CH2:28][CH2:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]21>C1CCOC1.CCOC(C)=O.O.O=S(O)O.[Na+].[Na+]>[O:1]=[C:2]([CH2:3][C@@H:4]1[CH2:5][C@H:6]([OH:7])[C@@H:8]([OH:9])[CH2:10][CH2:11][C:12](=[O:13])[O:14][C@H:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22][NH:23][C:24]1=[O:25])[NH:26][C@@H:27]1[CH2:28][CH2:29][CH2:30][c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]21 DKGAVHZHDRPRBM-UHFFFAOYSA-N.LFTLOKWAGJYHHR-UHFFFAOYSA-N.XEGQBYHIOAMBGV-CAOCKLPOSA-N>>NPAVMYYWVTWRGK-JQZXIOIQSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@H;D3;+0:4](-[OH;D1;+0:2])-[C@H;D3;+0:5](-[C:6])-[OH;D1;+0:1]>>C-C(-C)(-C)-[OH;D1;+0:1].C-[N+]1(-[O-;H0;D1:2])-C-C-O-C-C-1.[C:3]-[CH;D2;+0:4]=[CH;D2;+0:5]-[C:6] 5d633a3688c32380600ad5a615c0050336f81cb15dd43429dbaca84f986df452 CC(C)(C)[OH:7].C[N+]1([O-:9])CCOCC1.[O:1]=[C:2]([CH2:3][C@@H:4]1[CH2:5][CH:6]=[CH:8][CH2:10][CH2:11][C:12](=[O:13])[O:14][C@H:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22][NH:23][C:24]1=[O:25])[NH:26][CH2:27][c:28]1[cH:29][cH:30][c:31]([Cl:32])[cH:33][cH:34]1>C1CCOC1.CCOC(C)=O.O.O=S(O)O.[Na+].[Na+]>[O:1]=[C:2]([CH2:3][C@@H:4]1[CH2:5][C@H:6]([OH:7])[C@@H:8]([OH:9])[CH2:10][CH2:11][C:12](=[O:13])[O:14][C@H:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:22][NH:23][C:24]1=[O:25])[NH:26][CH2:27][c:28]1[cH:29][cH:30][c:31]([Cl:32])[cH:33][cH:34]1 DKGAVHZHDRPRBM-UHFFFAOYSA-N.DRDSZZCLAHXSAE-UNMCSNQZSA-N.LFTLOKWAGJYHHR-UHFFFAOYSA-N>>JNBPHJITZXHELO-QESAQDPVSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@H;D3;+0:4](-[OH;D1;+0:2])-[C@H;D3;+0:5](-[C:6])-[OH;D1;+0:1]>>C-C(-C)(-C)-[OH;D1;+0:1].C-[N+]1(-[O-;H0;D1:2])-C-C-O-C-C-1.[C:3]-[CH;D2;+0:4]=[CH;D2;+0:5]-[C:6] 5d633a3688c32380600ad5a615c0050336f81cb15dd43429dbaca84f986df452 Br[Mg][CH3:1].[CH:2](=[O:3])[C@@H:4]1[CH2:5][CH2:6][c:7]2[c:8]([cH:9][cH:10][c:11]([C@H:12]3[CH2:13][CH2:14][C@:15]4([CH2:16][O:17][C:18](=[O:19])[NH:20]4)[CH2:21]3)[cH:22]2)[CH2:23]1>C1CCOC1>[CH3:1][C@H:2]([OH:3])[C@@H:4]1[CH2:5][CH2:6][c:7]2[c:8]([cH:9][cH:10][c:11]([C@H:12]3[CH2:13][CH2:14][C@:15]4([CH2:16][O:17][C:18](=[O:19])[NH:20]4)[CH2:21]3)[cH:22]2)[CH2:23]1 AVFUHBJCUUTGCD-UHFFFAOYSA-M.ZTIYNBAHPCZWEY-PZPSRYQVSA-N>>LPOBTYROLJDVFO-UJMSNXRHSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:3](-[CH3;D1;+0:1])-[OH;D1;+0:4]>>Br-[Mg]-[CH3;D1;+0:1].[C:2]-[CH;D2;+0:3]=[O;H0;D1;+0:4] 23ef438432ca637c5b994f16b25a0c8a7bc78da756ca4ad4997985a1b2060894 O=[C:6]([CH2:5][c:4]1[c:3]([O:2][CH3:1])[cH:20][cH:19][cH:18][cH:17]1)[CH3:7].[NH2:8][C@H:9]([CH3:10])[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1>CO.O=CO>[CH3:1][O:2][c:3]1[c:4]([CH2:5][C@@H:6]([CH3:7])[NH:8][C@H:9]([CH3:10])[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:17][cH:18][cH:19][cH:20]1 GMBFNZCPZFVKAT-UHFFFAOYSA-N.RQEUFEKYXDPUSK-SSDOTTSWSA-N>>HHUCTUPDRKFQNI-HUUCEWRRSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@@H;D3;+0:1](-[C;D1;H3:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C;D1;H3:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 e2359fb816f6bae4d842f90c85938e1b4e834430a7315ba854d2d2cb224bedee CS(=O)(=O)O[C@H:10]1[CH2:11][CH2:12][C@@H:13]([CH3:14])[N:15]([C:16](=[O:17])[O:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[CH2:26]1.[CH3:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][c:8]([OH:9])[cH:27]1>CN(C)C=O.O.O=C(O)O.O=C(O)O.[Cs+].[Cs+].[Na+]>[CH3:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][c:8]([O:9][C@@H:10]2[CH2:11][CH2:12][C@@H:13]([CH3:14])[N:15]([C:16](=[O:17])[O:18][CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[CH2:26]2)[cH:27]1 CQCOWBFXEHVVCL-OCCSQVGLSA-N.LUJMEECXHPYQOF-UHFFFAOYSA-N>>XTMLSNHHAATWAE-IIBYNOLFSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:5]-[c:6]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[OH;D1;+0:5]-[c:6] 19a4b42d8caf5b0d7d6ea0f94ee317486f2e3e5dc9494a71c172404a23cb03ec [CH3:1][O:2][CH2:3][O:4][CH2:5][C@@H:6]1[C@@H:7]2[CH2:8][CH2:9][C@@H:10]([C:11](=[O:12])[CH2:13]2)[N:14]1[C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21]>CO.ClCCl.B.[Na+]>[CH3:1][O:2][CH2:3][O:4][CH2:5][C@@H:6]1[C@@H:7]2[CH2:8][CH2:9][C@@H:10]([C@H:11]([OH:12])[CH2:13]2)[N:14]1[C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21] NRANGHOMDQSTPO-GRYCIOLGSA-N>>BSMMCJMQAYMJMO-YVECIDJPSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] c7141aa1a34c4e147cfd9de52aa8c78fb066c1910e339995b420913d91a2e11a [CH3:1][C@@H:2]1[C@@H:3]2[CH2:4][CH2:5][C@@H:6]([C:7](=[O:8])[CH2:9]2)[N:10]1[C:11](=[O:12])[c:13]1[c:14](-[c:15]2[n:16][cH:17][cH:18][cH:19][n:20]2)[c:21]([F:22])[cH:23][cH:24][cH:25]1>CO.ClCCl.B.[Na+]>[CH3:1][C@@H:2]1[C@@H:3]2[CH2:4][CH2:5][C@@H:6]([C@H:7]([OH:8])[CH2:9]2)[N:10]1[C:11](=[O:12])[c:13]1[c:14](-[c:15]2[n:16][cH:17][cH:18][cH:19][n:20]2)[c:21]([F:22])[cH:23][cH:24][cH:25]1 IRRWUZNQQTYVLY-JMSVASOKSA-N>>TXMQKGXFBDXQBS-AVRGHOLYSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] c7141aa1a34c4e147cfd9de52aa8c78fb066c1910e339995b420913d91a2e11a I[CH3:13].[CH3:1][CH:2]([CH3:3])[C@@H:4]1[CH2:5][O:6][C:7](=[O:8])[N:9]1[C:10](=[O:11])[CH2:12][C:14]12[CH2:15][CH:16]([CH2:17]1)[CH2:18]2>C1CCOC1.CC(C)NC(C)C.[Li+]>[CH3:1][CH:2]([CH3:3])[C@@H:4]1[CH2:5][O:6][C:7](=[O:8])[N:9]1[C:10](=[O:11])[C@H:12]([CH3:13])[C:14]12[CH2:15][CH:16]([CH2:17]1)[CH2:18]2 INQOMBQAUSQDDS-UHFFFAOYSA-N.VGFIOTZARAWXQH-QUNCOHTASA-N>>UWLWLNRFCBJYIH-OZAVNUTGSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[C:6])-[CH3;D1;+0:1]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[C:6] ca1f6858c2397350d90e61899db160ccc8e0bb6d6e21e9a85751a6d6be5df360 [CH3:1][C:2]1=[CH:3][C:4](=[O:5])[CH2:6][C:7]([CH3:8])([CH3:9])[CH2:10]1>CC(=O)O.CC(=O)O.COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccc3c(c2[C@H]2C4=C(CCC2P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)OCO4)OCO3)cc1C(C)(C)C.Cc1ccccc1.[Cu+2].[Na+].O>[CH3:1][C@H:2]1[CH2:3][C:4](=[O:5])[CH2:6][C:7]([CH3:8])([CH3:9])[CH2:10]1 HJOVHMDZYOCNQW-UHFFFAOYSA-N>>POSWICCRDBKBMH-ZETCQYMHSA-N 0.0 Unrecognized False reagent controlled False [C:1]-[C@@H;D3;+0:2](-[C;D1;H3:3])-[CH2;D2;+0:4]-[C:5]=[O;D1;H0:6]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[CH;D2;+0:4]-[C:5]=[O;D1;H0:6] 9182058add2a31e71953c59da91495e91a73b68dc14a14f3396d80a99aae5acd [CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]=[C:11]([Br:12])[C:13](=[O:14])[CH2:15]1>C1CCOC1.CCCCCCC.CCOC(C)=O.CCOC(C)=O.COB(OC)OC.OC(c1ccccc1)(c1ccccc1)[C@H]1CCCN1>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]=[C:11]([Br:12])[C@@H:13]([OH:14])[CH2:15]1 JKXASHFASIJCPO-UHFFFAOYSA-N>>DJNYAAIGMXOXCU-QMMMGPOBSA-N 0.0 Unrecognized False reagent controlled True [#7:1]-[C:2]-[C@@H;D3;+0:3](-[OH;D1;+0:4])-[C:5]=[C:6]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](=[O;H0;D1;+0:4])-[C:5]=[C:6] fabaa133cc332e0d9182a6a063f56bb9327a028e9b4e958c8de559721979bcf3 [CH3:1][C:2]1=[CH:3][C:4](=[O:5])[CH2:6][C:7]([CH3:8])([CH3:9])[CH2:10]1>CC(=O)O.CC(=O)O.COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccc3c(c2[C@H]2C4=C(CCC2P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)OCO4)OCO3)cc1C(C)(C)C.Cc1ccccc1.[Cu+2].[Na+].O>[CH3:1][C@H:2]1[CH2:3][C:4](=[O:5])[CH2:6][C:7]([CH3:8])([CH3:9])[CH2:10]1 HJOVHMDZYOCNQW-UHFFFAOYSA-N>>POSWICCRDBKBMH-ZETCQYMHSA-N 0.0 Unrecognized False reagent controlled True [C:1]-[C@H;D3;+0:2](-[C;D1;H3:3])-[CH2;D2;+0:4]-[C:5]=[O;D1;H0:6]>>[C:1]-[C;H0;D3;+0:2](-[C;D1;H3:3])=[CH;D2;+0:4]-[C:5]=[O;D1;H0:6] e8d4f1f8149597570a8322f400fb98a7d2abf7f149d24a71d72a23f2556221b5 [O:1]=[C:2]1[CH2:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][n:9][c:10]21>B.C1CCOC1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12>[OH:1][C@@H:2]1[CH2:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][n:9][c:10]21 ZULJQRMXUOTWBU-UHFFFAOYSA-N>>XLPDFBUFTAWCIB-SSDOTTSWSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]-[C@@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#7;a:1]:[c:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 4672cc10e7f17fd78b474dab59cad4434e7eecbb4579adc8c4c1468d077e6b1e N[C@H:4]([C:2](=[O:1])[OH:3])[CH2:6][c:7]1[cH:8][cH:9][c:10]([O:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:19][cH:20]1.[OH2:5]>CCOC(C)=O.CS(C)=O.O=NO.O=S(=O)(O)O.[Na+]>[O:1]=[C:2]([OH:3])[C@@H:4]([OH:5])[CH2:6][c:7]1[cH:8][cH:9][c:10]([O:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:19][cH:20]1 KAFHLONDOVSENM-HNNXBMFYSA-N.XLYOFNOQVPJJNP-UHFFFAOYSA-N>>RADJEIZOJZINJB-HNNXBMFYSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[OH;D1;+0:6])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5]>>N-[C@@H;D3;+0:1](-[C:2])-[C:3](=[O;D1;H0:4])-[O;D1;H1:5].[OH2;D0;+0:6] 3b2930445911a30f6eef1993b611280cb26ac438bc2995944b0d46cd68ec10e9 I[CH3:11].[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[cH:8][c:9]([CH2:10][C:12](=[O:13])[N:14]2[C:15](=[O:16])[O:17][CH2:18][C@H:19]2[CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:27]1>C1CCOC1.CCCCCC>[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[cH:8][c:9]([C@@H:10]([CH3:11])[C:12](=[O:13])[N:14]2[C:15](=[O:16])[O:17][CH2:18][C@H:19]2[CH2:20][c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:27]1 INQOMBQAUSQDDS-UHFFFAOYSA-N.UIQJYHSYPIJGID-MRXNPFEDSA-N>>JIISZRIUQWEEHW-RHSMWYFYSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[CH3;D1;+0:1])-[c:6]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[c:6] 4408f97d137a726e1ab3843c13949afd149d8ae22ca196aabdfd63f64c9b350a I[CH3:11].[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[cH:8][c:9]([CH2:10][C:12](=[O:13])[N:14]2[C:15](=[O:16])[O:17][CH2:18][C@@H:19]2[CH:20]([CH3:21])[CH3:22])[cH:23]1>C1CCOC1.CCCCCC>[CH3:1][O:2][c:3]1[cH:4][c:5]([O:6][CH3:7])[cH:8][c:9]([C@H:10]([CH3:11])[C:12](=[O:13])[N:14]2[C:15](=[O:16])[O:17][CH2:18][C@@H:19]2[CH:20]([CH3:21])[CH3:22])[cH:23]1 INQOMBQAUSQDDS-UHFFFAOYSA-N.PDQDJBNIDGETQU-CQSZACIVSA-N>>WTKKATNMVFZYFZ-XHDPSFHLSA-N 0.0 Unrecognized False substrate controlled False [#7:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[CH3;D1;+0:1])-[c:6]>>I-[CH3;D1;+0:1].[#7:2]-[C:3](=[O;D1;H0:4])-[CH2;D2;+0:5]-[c:6] 392eb33aa7db2786e7965885f1d27e0768cd68e2a2f31bb6600bca5f4293b06f [CH3:1][C:2]([CH3:3])([C:4](=[O:5])[OH:6])[c:7]1[cH:8][c:9]([OH:10])[c:11]2[c:12]([cH:13]1)[O:14][C:15]([CH3:16])([CH3:17])[C@@H:18]1[CH2:19][CH2:20][C:21](=[O:22])[CH2:23][C@@H:24]21>CO.B.[Na+]>[CH3:1][C:2]([CH3:3])([C:4](=[O:5])[OH:6])[c:7]1[cH:8][c:9]([OH:10])[c:11]2[c:12]([cH:13]1)[O:14][C:15]([CH3:16])([CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@@H:21]([OH:22])[CH2:23][C@@H:24]21 RZIACNTUQZCCHF-CHWSQXEVSA-N>>HAHQDEMAJARYLR-JHJVBQTASA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][CH2:2][CH2:3][CH2:4][O:5][C:6](=[O:7])[C:8]([CH3:9])([CH3:10])[c:11]1[cH:12][c:13]([OH:14])[c:15]2[c:16]([cH:17]1)[O:18][C:19]([CH3:20])([CH3:21])[C@@H:22]1[CH2:23][CH2:24][C:25](=[O:26])[CH2:27][C@@H:28]21>CO.B.[Na+]>[CH3:1][CH2:2][CH2:3][CH2:4][O:5][C:6](=[O:7])[C:8]([CH3:9])([CH3:10])[c:11]1[cH:12][c:13]([OH:14])[c:15]2[c:16]([cH:17]1)[O:18][C:19]([CH3:20])([CH3:21])[C@@H:22]1[CH2:23][CH2:24][C@@H:25]([OH:26])[CH2:27][C@@H:28]21 UALKIYOTOGCAGG-IAGOWNOFSA-N>>JCDBXTYJLBHCTL-BRWVUGGUSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 48de9af29daeb3c423dc85749f45f99f7a6a41934059fd624b22420fe04d7f5d [CH3:1][C:2]([CH3:3])([C:4](=[O:5])[OH:6])[c:7]1[cH:8][c:9]([OH:10])[c:11]2[c:12]([cH:13]1)[O:14][C:15]([CH3:16])([CH3:17])[C@@H:18]1[CH2:19][CH2:20][C:21](=[O:22])[CH2:23][C@@H:24]21>C1CCOC1.CCC(C)B(C(C)CC)C(C)CC.[K+]>[CH3:1][C:2]([CH3:3])([C:4](=[O:5])[OH:6])[c:7]1[cH:8][c:9]([OH:10])[c:11]2[c:12]([cH:13]1)[O:14][C:15]([CH3:16])([CH3:17])[C@@H:18]1[CH2:19][CH2:20][C@H:21]([OH:22])[CH2:23][C@@H:24]21 RZIACNTUQZCCHF-CHWSQXEVSA-N>>HAHQDEMAJARYLR-YNEHKIRRSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[C:3])-[OH;D1;+0:4]>>[C:1]-[C;H0;D3;+0:2](-[C:3])=[O;H0;D1;+0:4] 6f120a1c4d964d69ee194fc473d697757d8f8415cbe3b9e981d3410b0a184d85 OB(O)[c:7]1[cH:6][c:5]([C:3]([O:2][CH3:1])=[O:4])[cH:21][cH:20][cH:19]1.[cH:8]1[cH:9][c:10](=[O:11])[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]2[o:18]1>CC(C)(C)[C@H]1COC(c2ccccn2)=N1.CC(Cl)Cl.F[PH](F)(F)(F)(F)F.O.O=C(O[Pd]OC(=O)C(F)(F)F)C(F)(F)F.N>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([C@H:8]2[CH2:9][C:10](=[O:11])[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[O:18]2)[cH:19][cH:20][cH:21]1 ALTLCJHSJMGSLT-UHFFFAOYSA-N.OTAFHZMPRISVEM-UHFFFAOYSA-N>>ZSYLEYOJARYYPA-MRXNPFEDSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:9]-[#8:8]-[C:6](=[O;D1;H0:7])-[c:5]1:[c:4]:[c:3]:[c:2]:[c;H0;D3;+0:1](-[C@H;D3;+0:16]2-[CH2;D2;+0:17]-[C;H0;D3;+0:12](=[O;D1;H0:11])-[c:13]:[c:14]-[O;H0;D2;+0:15]-2):[c:10]:1>>O-B(-O)-[c;H0;D3;+0:1]1:[c:2]:[c:3]:[c:4]:[c:5](-[C:6](=[O;D1;H0:7])-[#8:8]-[C;D1;H3:9]):[c:10]:1.[O;D1;H0:11]=[c;H0;D3;+0:12]1:[c:13]:[c:14]:[o;H0;D2;+0:15]:[cH;D2;+0:16]:[cH;D2;+0:17]:1 3ff60412f81a31809e58988dac128b8745323a0ffb5156a5d2e7333adc51a62c OB(O)[c:7]1[cH:6][c:5]([C:3]([O:2][CH3:1])=[O:4])[cH:22][cH:21][cH:20]1.[cH:8]1[cH:9][c:10](=[O:11])[c:12]2[cH:13][c:14]([CH3:15])[cH:16][cH:17][c:18]2[o:19]1>CC(C)(C)[C@H]1COC(c2ccccn2)=N1.CC(Cl)Cl.F[PH](F)(F)(F)(F)F.O.O=C(O[Pd]OC(=O)C(F)(F)F)C(F)(F)F.N>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([C@H:8]2[CH2:9][C:10](=[O:11])[c:12]3[cH:13][c:14]([CH3:15])[cH:16][cH:17][c:18]3[O:19]2)[cH:20][cH:21][cH:22]1 ALTLCJHSJMGSLT-UHFFFAOYSA-N.HTXQVFXXVXOLCF-UHFFFAOYSA-N>>GLQMDFYSZDFMDS-QGZVFWFLSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:9]-[#8:8]-[C:6](=[O;D1;H0:7])-[c:5]1:[c:4]:[c:3]:[c:2]:[c;H0;D3;+0:1](-[C@H;D3;+0:16]2-[CH2;D2;+0:17]-[C;H0;D3;+0:12](=[O;D1;H0:11])-[c:13]:[c:14]-[O;H0;D2;+0:15]-2):[c:10]:1>>O-B(-O)-[c;H0;D3;+0:1]1:[c:2]:[c:3]:[c:4]:[c:5](-[C:6](=[O;D1;H0:7])-[#8:8]-[C;D1;H3:9]):[c:10]:1.[O;D1;H0:11]=[c;H0;D3;+0:12]1:[c:13]:[c:14]:[o;H0;D2;+0:15]:[cH;D2;+0:16]:[cH;D2;+0:17]:1 3ff60412f81a31809e58988dac128b8745323a0ffb5156a5d2e7333adc51a62c OB(O)[c:7]1[cH:6][c:5]([C:3]([O:2][CH3:1])=[O:4])[cH:23][cH:22][cH:21]1.[cH:8]1[cH:9][c:10](=[O:11])[c:12]2[cH:13][c:14]([O:15][CH3:16])[cH:17][cH:18][c:19]2[o:20]1>CC(C)(C)[C@H]1COC(c2ccccn2)=N1.CC(Cl)Cl.F[PH](F)(F)(F)(F)F.O.O=C(O[Pd]OC(=O)C(F)(F)F)C(F)(F)F.N.[Pd]>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([C@H:8]2[CH2:9][C:10](=[O:11])[c:12]3[cH:13][c:14]([O:15][CH3:16])[cH:17][cH:18][c:19]3[O:20]2)[cH:21][cH:22][cH:23]1 ALTLCJHSJMGSLT-UHFFFAOYSA-N.PGFLLSYSGYEGHZ-UHFFFAOYSA-N>>WCDCMPKQMWEFCF-QGZVFWFLSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:9]-[#8:8]-[C:6](=[O;D1;H0:7])-[c:5]1:[c:4]:[c:3]:[c:2]:[c;H0;D3;+0:1](-[C@H;D3;+0:16]2-[CH2;D2;+0:17]-[C;H0;D3;+0:12](=[O;D1;H0:11])-[c:13]:[c:14]-[O;H0;D2;+0:15]-2):[c:10]:1>>O-B(-O)-[c;H0;D3;+0:1]1:[c:2]:[c:3]:[c:4]:[c:5](-[C:6](=[O;D1;H0:7])-[#8:8]-[C;D1;H3:9]):[c:10]:1.[O;D1;H0:11]=[c;H0;D3;+0:12]1:[c:13]:[c:14]:[o;H0;D2;+0:15]:[cH;D2;+0:16]:[cH;D2;+0:17]:1 3ff60412f81a31809e58988dac128b8745323a0ffb5156a5d2e7333adc51a62c CO[N:11]=[C:10]1[CH2:9][C@H:8]([c:7]2[cH:6][c:5]([C:3]([O:2][CH3:1])=[O:4])[cH:25][cH:24][cH:23]2)[O:22][c:21]2[c:12]1[cH:13][cH:14][c:15]([O:16][CH:17]([F:18])[F:19])[cH:20]2>CC(=O)O.[H][H].[Pt]>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([C@H:8]2[CH2:9][C@@H:10]([NH2:11])[c:12]3[cH:13][cH:14][c:15]([O:16][CH:17]([F:18])[F:19])[cH:20][c:21]3[O:22]2)[cH:23][cH:24][cH:25]1 KLQCAPWOKUIVFB-MRXNPFEDSA-N>>LNCGNPOZEWNJHJ-HUUCEWRRSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@@H;D3;+0:2](-[NH2;D1;+0:1])-[c:4]1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1>>C-O-[N;H0;D2;+0:1]=[C;H0;D3;+0:2](-[C:3])-[c:4]1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1 2a16239ec629a30040eb47ad49c36b6e799f811b2bac9bfe20c50673f41e04e5 [O:1]=[C:2]1[CH2:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][n:9][c:10]21>B.C1CCOC1.C1CCOC1.CB1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12>[OH:1][C@@H:2]1[CH2:3][CH2:4][c:5]2[cH:6][cH:7][cH:8][n:9][c:10]21 ZULJQRMXUOTWBU-UHFFFAOYSA-N>>XLPDFBUFTAWCIB-SSDOTTSWSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]-[C@H;D3;+0:3](-[C:4])-[OH;D1;+0:5]>>[#7;a:1]:[c:2]-[C;H0;D3;+0:3](-[C:4])=[O;H0;D1;+0:5] 439910f0ec84fc11a36d00d5e6a4edbc841ea487b63c909aa068c82b3ec914b0 OB(O)[c:7]1[cH:6][c:5]([C:3]([O:2][CH3:1])=[O:4])[cH:21][cH:20][cH:19]1.[cH:8]1[cH:9][c:10](=[O:11])[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]2[o:18]1>CC(C)(C)[C@H]1COC(c2ccccn2)=N1.CC(Cl)Cl.F[PH](F)(F)(F)(F)F.O.O=C(O[Pd]OC(=O)C(F)(F)F)C(F)(F)F.N>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([C@H:8]2[CH2:9][C:10](=[O:11])[c:12]3[cH:13][cH:14][cH:15][cH:16][c:17]3[O:18]2)[cH:19][cH:20][cH:21]1 ALTLCJHSJMGSLT-UHFFFAOYSA-N.OTAFHZMPRISVEM-UHFFFAOYSA-N>>ZSYLEYOJARYYPA-MRXNPFEDSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:9]-[#8:8]-[C:6](=[O;D1;H0:7])-[c:5]1:[c:4]:[c:3]:[c:2]:[c;H0;D3;+0:1](-[C@@H;D3;+0:16]2-[CH2;D2;+0:17]-[C;H0;D3;+0:12](=[O;D1;H0:11])-[c:13]:[c:14]-[O;H0;D2;+0:15]-2):[c:10]:1>>O-B(-O)-[c;H0;D3;+0:1]1:[c:2]:[c:3]:[c:4]:[c:5](-[C:6](=[O;D1;H0:7])-[#8:8]-[C;D1;H3:9]):[c:10]:1.[O;D1;H0:11]=[c;H0;D3;+0:12]1:[c:13]:[c:14]:[o;H0;D2;+0:15]:[cH;D2;+0:16]:[cH;D2;+0:17]:1 e4a741d967804966a138dfadc11326a4b1bb5e83f7501dfa0101616542d4fc58 OB(O)[c:7]1[cH:6][c:5]([C:3]([O:2][CH3:1])=[O:4])[cH:22][cH:21][cH:20]1.[cH:8]1[cH:9][c:10](=[O:11])[c:12]2[cH:13][c:14]([CH3:15])[cH:16][cH:17][c:18]2[o:19]1>CC(C)(C)[C@H]1COC(c2ccccn2)=N1.CC(Cl)Cl.F[PH](F)(F)(F)(F)F.O.O=C(O[Pd]OC(=O)C(F)(F)F)C(F)(F)F.N>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([C@H:8]2[CH2:9][C:10](=[O:11])[c:12]3[cH:13][c:14]([CH3:15])[cH:16][cH:17][c:18]3[O:19]2)[cH:20][cH:21][cH:22]1 ALTLCJHSJMGSLT-UHFFFAOYSA-N.HTXQVFXXVXOLCF-UHFFFAOYSA-N>>GLQMDFYSZDFMDS-QGZVFWFLSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:9]-[#8:8]-[C:6](=[O;D1;H0:7])-[c:5]1:[c:4]:[c:3]:[c:2]:[c;H0;D3;+0:1](-[C@@H;D3;+0:16]2-[CH2;D2;+0:17]-[C;H0;D3;+0:12](=[O;D1;H0:11])-[c:13]:[c:14]-[O;H0;D2;+0:15]-2):[c:10]:1>>O-B(-O)-[c;H0;D3;+0:1]1:[c:2]:[c:3]:[c:4]:[c:5](-[C:6](=[O;D1;H0:7])-[#8:8]-[C;D1;H3:9]):[c:10]:1.[O;D1;H0:11]=[c;H0;D3;+0:12]1:[c:13]:[c:14]:[o;H0;D2;+0:15]:[cH;D2;+0:16]:[cH;D2;+0:17]:1 e4a741d967804966a138dfadc11326a4b1bb5e83f7501dfa0101616542d4fc58 OB(O)[c:7]1[cH:6][c:5]([C:3]([O:2][CH3:1])=[O:4])[cH:23][cH:22][cH:21]1.[cH:8]1[cH:9][c:10](=[O:11])[c:12]2[cH:13][c:14]([O:15][CH3:16])[cH:17][cH:18][c:19]2[o:20]1>CC(C)(C)[C@H]1COC(c2ccccn2)=N1.CC(Cl)Cl.F[PH](F)(F)(F)(F)F.O.O=C(O[Pd]OC(=O)C(F)(F)F)C(F)(F)F.N.[Pd]>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([C@H:8]2[CH2:9][C:10](=[O:11])[c:12]3[cH:13][c:14]([O:15][CH3:16])[cH:17][cH:18][c:19]3[O:20]2)[cH:21][cH:22][cH:23]1 ALTLCJHSJMGSLT-UHFFFAOYSA-N.PGFLLSYSGYEGHZ-UHFFFAOYSA-N>>WCDCMPKQMWEFCF-QGZVFWFLSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:9]-[#8:8]-[C:6](=[O;D1;H0:7])-[c:5]1:[c:4]:[c:3]:[c:2]:[c;H0;D3;+0:1](-[C@@H;D3;+0:16]2-[CH2;D2;+0:17]-[C;H0;D3;+0:12](=[O;D1;H0:11])-[c:13]:[c:14]-[O;H0;D2;+0:15]-2):[c:10]:1>>O-B(-O)-[c;H0;D3;+0:1]1:[c:2]:[c:3]:[c:4]:[c:5](-[C:6](=[O;D1;H0:7])-[#8:8]-[C;D1;H3:9]):[c:10]:1.[O;D1;H0:11]=[c;H0;D3;+0:12]1:[c:13]:[c:14]:[o;H0;D2;+0:15]:[cH;D2;+0:16]:[cH;D2;+0:17]:1 e4a741d967804966a138dfadc11326a4b1bb5e83f7501dfa0101616542d4fc58 CO[N:12]=[C:11]1[CH2:10][C@H:9]([c:8]2[cH:7][cH:6][c:5]([C:3]([O:2][CH3:1])=[O:4])[cH:23][cH:22]2)[O:21][c:20]2[c:13]1[cH:14][cH:15][c:16]([O:17][CH3:18])[cH:19]2>CC(=O)O.[H][H].[Pt]>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([C@H:9]2[CH2:10][C@@H:11]([NH2:12])[c:13]3[cH:14][cH:15][c:16]([O:17][CH3:18])[cH:19][c:20]3[O:21]2)[cH:22][cH:23]1 XZPTVFJZUXJIDD-QGZVFWFLSA-N>>VQIYLHUBZFLZKP-HZPDHXFCSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@@H;D3;+0:2](-[NH2;D1;+0:1])-[c:4]1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1>>C-O-[N;H0;D2;+0:1]=[C;H0;D3;+0:2](-[C:3])-[c:4]1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1 2a16239ec629a30040eb47ad49c36b6e799f811b2bac9bfe20c50673f41e04e5 CO[N:12]=[C:11]1[CH2:10][C@H:9]([c:8]2[cH:7][cH:6][c:5]([C:3]([O:2][CH3:1])=[O:4])[cH:21][cH:20]2)[O:19][c:18]2[c:13]1[cH:14][cH:15][cH:16][cH:17]2>CC(=O)O.[Pt]>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([C@H:9]2[CH2:10][C@@H:11]([NH2:12])[c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[O:19]2)[cH:20][cH:21]1 ROZUVGJOMYUYOC-QGZVFWFLSA-N>>PZNNNEGJECLKBF-GDBMZVCRSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@@H;D3;+0:2](-[NH2;D1;+0:1])-[c:4]1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1>>C-O-[N;H0;D2;+0:1]=[C;H0;D3;+0:2](-[C:3])-[c:4]1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1 2a16239ec629a30040eb47ad49c36b6e799f811b2bac9bfe20c50673f41e04e5 CO[N:12]=[C:11]1[CH2:10][C@H:9]([c:8]2[cH:7][cH:6][c:5]([C:3]([O:2][CH3:1])=[O:4])[cH:22][cH:21]2)[O:20][c:19]2[c:13]1[cH:14][cH:15][c:16]([OH:17])[cH:18]2>CC(=O)O.[Pt]>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([C@H:9]2[CH2:10][C@@H:11]([NH2:12])[c:13]3[cH:14][cH:15][c:16]([OH:17])[cH:18][c:19]3[O:20]2)[cH:21][cH:22]1 TYMSSBNMKDAVHS-MRXNPFEDSA-N>>PAOSBXWCQLPBTD-HUUCEWRRSA-N 0.0 Unrecognized False substrate controlled False [C:3]-[C@@H;D3;+0:2](-[NH2;D1;+0:1])-[c:4]1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1>>C-O-[N;H0;D2;+0:1]=[C;H0;D3;+0:2](-[C:3])-[c:4]1:[c:5]:[c:6]:[c:7]:[c:8]:[c:9]:1 2a16239ec629a30040eb47ad49c36b6e799f811b2bac9bfe20c50673f41e04e5 [O:1]=[C:2]1[CH2:3][CH2:4][CH2:5][c:6]2[c:7]1[n:8][cH:9][cH:10][n:11]2>Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)cc1.Cl[Ru]Cl.Cl[Ru]Cl>[OH:1][C@@H:2]1[CH2:3][CH2:4][CH2:5][c:6]2[c:7]1[n:8][cH:9][cH:10][n:11]2 SPKOETCAQSHXTM-UHFFFAOYSA-N>>LYSCEKSEDXBGNS-SSDOTTSWSA-N 0.0 Unrecognized False reagent controlled False [#7;a:1]:[c:2]:[c:3](:[#7;a:4])-[C@@H;D3;+0:5](-[C:6])-[OH;D1;+0:7]>>[#7;a:1]:[c:2]:[c:3](:[#7;a:4])-[C;H0;D3;+0:5](-[C:6])=[O;H0;D1;+0:7] dc60a5a04610f6bbf1e9155a8b968e6a8da226590b78dd057754ee16f1a95056 I[CH2:3][CH:2]=[CH2:1].[CH2:4]1[CH2:5][C@H:6]([CH2:7][c:8]2[cH:9][cH:10][c:11]([N+:12](=[O:13])[O-:14])[cH:15][cH:16]2)[N:17]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[C:25]1=[O:26]>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.[Li+]>[CH2:1]=[CH:2][CH2:3][C@H:4]1[CH2:5][C@H:6]([CH2:7][c:8]2[cH:9][cH:10][c:11]([N+:12](=[O:13])[O-:14])[cH:15][cH:16]2)[N:17]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[C:25]1=[O:26] BVTNLBMBIQYCFK-CYBMUJFWSA-N.HFEHLDPGIKPNKL-UHFFFAOYSA-N>>DIDUPSPYQKBGQO-HOCLYGCPSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3]>>I-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3].[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 3524875e62a2e9677016fc603ae9e216221f84c774031a133a32514c2dcfcd54 Br[CH2:8][C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7].[CH2:9]([CH2:10][CH2:11][CH2:12][O:13][CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[C:21](=[O:22])[N:23]1[C:24](=[O:25])[O:26][CH2:27][C@H:28]1[CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1>C1CCOC1.CNCCN(C)C.C[Si](C)(C)N[Si](C)(C)C.Cl.[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH2:8][C@H:9]([CH2:10][CH2:11][CH2:12][O:13][CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[C:21](=[O:22])[N:23]1[C:24](=[O:25])[O:26][CH2:27][C@H:28]1[CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1 BNWCETAHAJSBFG-UHFFFAOYSA-N.FXNAXZYRAIODOY-HXUWFJFHSA-N>>LKISVFMKUNSAKL-BJKOFHAPSA-N 0.0 Unrecognized False substrate controlled False [#7:9]-[C:10](=[O;D1;H0:11])-[C@@H;D3;+0:12](-[C:13])-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8]>>Br-[CH2;D2;+0:1]-[C:2](=[O;D1;H0:3])-[#8:4]-[C:5](-[C;D1;H3:6])(-[C;D1;H3:7])-[C;D1;H3:8].[#7:9]-[C:10](=[O;D1;H0:11])-[CH2;D2;+0:12]-[C:13] a722e3732220cc0dd3ad0db5e2d7ebdb7f98bc5cba08db31006e3b8456788b66 I[CH2:3][CH:2]=[CH2:1].[CH2:4]([CH2:5][c:6]1[n:7][o:8][c:9]([CH:10]2[CH2:11][CH:12]([CH2:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:18]2)[c:19]1[CH:20]1[CH2:21][CH2:22]1)[C:23](=[O:24])[N:25]1[C:26](=[O:27])[O:28][CH2:29][C@@H:30]1[CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>C1CCOC1.C[Si](C)(C)N[Si](C)(C)C.Cl.O.[Na+]>[CH2:1]=[CH:2][CH2:3][C@@H:4]([CH2:5][c:6]1[n:7][o:8][c:9]([CH:10]2[CH2:11][CH:12]([CH2:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:18]2)[c:19]1[CH:20]1[CH2:21][CH2:22]1)[C:23](=[O:24])[N:25]1[C:26](=[O:27])[O:28][CH2:29][C@@H:30]1[CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1 HFEHLDPGIKPNKL-UHFFFAOYSA-N.ZTENJPGBFLHGHP-VTLFHKLASA-N>>ZMFNXLWMVWOHFE-BLPJSXLPSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3]>>I-[CH2;D2;+0:1]-[C:2]=[C;D1;H2:3].[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 3524875e62a2e9677016fc603ae9e216221f84c774031a133a32514c2dcfcd54 [O:1]=[C:2]1[CH2:3][CH2:4][CH2:5][c:6]2[c:7]1[n:8][cH:9][cH:10][n:11]2>Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)cc1.Cl[Ru]Cl.Cl[Ru]Cl>[OH:1][C@@H:2]1[CH2:3][CH2:4][CH2:5][c:6]2[c:7]1[n:8][cH:9][cH:10][n:11]2 SPKOETCAQSHXTM-UHFFFAOYSA-N>>LYSCEKSEDXBGNS-SSDOTTSWSA-N 0.0 Unrecognized False reagent controlled True [#7;a:1]:[c:2]:[c:3](:[#7;a:4])-[C@H;D3;+0:5](-[C:6])-[OH;D1;+0:7]>>[#7;a:1]:[c:2]:[c:3](:[#7;a:4])-[C;H0;D3;+0:5](-[C:6])=[O;H0;D1;+0:7] 1d6046db8206bf06f418a551069f22ab5843622f925a903afc3a54b3c8d7193b [CH3:1][CH2:2][O:3][C@@H:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([O:10][CH2:11][C:12](=[O:13])[c:14]2[cH:15][c:16]([O:17][CH3:18])[cH:19][cH:20][cH:21]2)[cH:22][cH:23]1)[C:24](=[O:25])[NH:26][O:27][CH3:28]>CN(C)C=O>[CH3:1][CH2:2][O:3][C@@H:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([O:10][CH2:11][C@H:12]([OH:13])[c:14]2[cH:15][c:16]([O:17][CH3:18])[cH:19][cH:20][cH:21]2)[cH:22][cH:23]1)[C:24](=[O:25])[NH:26][O:27][CH3:28] UZQZKXIZIFBWMC-FQEVSTJZSA-N>>APBKUMPAODYGEV-PMACEKPBSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][CH2:2][O:3][C@@H:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([O:10][CH2:11][C:12](=[O:13])[c:14]2[cH:15][c:16]([O:17][CH3:18])[cH:19][cH:20][cH:21]2)[cH:22][cH:23]1)[C:24](=[O:25])[N:26]([CH3:27])[O:28][CH3:29]>CN(C)C=O>[CH3:1][CH2:2][O:3][C@@H:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([O:10][CH2:11][C@H:12]([OH:13])[c:14]2[cH:15][c:16]([O:17][CH3:18])[cH:19][cH:20][cH:21]2)[cH:22][cH:23]1)[C:24](=[O:25])[N:26]([CH3:27])[O:28][CH3:29] CORNULKNTKSTDH-NRFANRHFSA-N>>PLAZCDPKCQKSNP-SFTDATJTSA-N 0.0 Unrecognized False substrate controlled False [C:1]-[C@H;D3;+0:2](-[OH;D1;+0:3])-[c:4]>>[C:1]-[C;H0;D3;+0:2](=[O;H0;D1;+0:3])-[c:4] 246faeada557475c1172d9a5bb9b754e74b99c2e49feae4484370f029255c96c [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[c:8]([Br:9])[c:10]([O:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:19][cH:20][c:21]1[CH3:22]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([OH:6])[c:7]1[c:8]([Br:9])[c:10]([O:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:19][cH:20][c:21]1[CH3:22] RECXAAJOCSNICO-UHFFFAOYSA-N>>JOESDNUETSTZFY-INIZCTEOSA-N 0.0 Unrecognized False reagent controlled False [C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C@@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] 337cde4923ea3e390bc22368ecb7dcba62ee9a2cc54b39783dfdf823ddc6fd21 CC(C)c1cc(C(C)C)c(S(=O)(=O)[N:3]=[N+:2]=[N-:1])c(C(C)C)c1.[CH2:4]([C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[C@H:19]([c:20]1[cH:21][cH:22][c:23]([F:24])[cH:25][cH:26]1)[c:27]1[cH:28][c:29]([F:30])[cH:31][cH:32][cH:33]1>C1CCOC1.CC(=O)O.CC(=O)O.C[N+](C)(C)C.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[N-:1]=[N+:2]=[N:3][C@H:4]([C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[C@H:19]([c:20]1[cH:21][cH:22][c:23]([F:24])[cH:25][cH:26]1)[c:27]1[cH:28][c:29]([F:30])[cH:31][cH:32][cH:33]1 AEMWUHCKKDPRSK-UHFFFAOYSA-N.DIJZARKESAJHAV-FGZHOGPDSA-N>>BLBSQYWJUICXCX-VSKRKVRLSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]>>C-C(-C)-c1:c:c(-C(-C)-C):c(-S(=O)(=O)-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]):c(-C(-C)-C):c:1.[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 5d62210582e8509f7297b5a975afcc5b3dde53629231d99da0265d38e21e8265 CC(C)c1cc(C(C)C)c(S(=O)(=O)[N:16]=[N+:17]=[N-:18])c(C(C)C)c1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C@H:7]([c:8]2[cH:9][cH:10][c:11]([Cl:12])[cH:13][cH:14]2)[CH2:15][C:19](=[O:20])[N:21]2[C:22](=[O:23])[O:24][CH2:25][C@@H:26]2[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][n:34]1>C1CCOC1.CC(=O)O.CC(=O)O.C[N+](C)(C)C.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C@H:7]([c:8]2[cH:9][cH:10][c:11]([Cl:12])[cH:13][cH:14]2)[C@H:15]([N:16]=[N+:17]=[N-:18])[C:19](=[O:20])[N:21]2[C:22](=[O:23])[O:24][CH2:25][C@@H:26]2[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33][n:34]1 AEMWUHCKKDPRSK-UHFFFAOYSA-N.PGYVUWISNPFWJB-LEWJYISDSA-N>>QIEJRKHUSMYUTN-HJNYFJLDSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]>>C-C(-C)-c1:c:c(-C(-C)-C):c(-S(=O)(=O)-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]):c(-C(-C)-C):c:1.[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 5d62210582e8509f7297b5a975afcc5b3dde53629231d99da0265d38e21e8265 CC(C)c1cc(C(C)C)c(S(=O)(=O)[N:3]=[N+:2]=[N-:1])c(C(C)C)c1.[CH2:4]([C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[C@@H:19]([c:20]1[cH:21][cH:22][c:23]([F:24])[cH:25][cH:26]1)[CH:27]1[CH2:28][CH2:29][O:30][CH2:31][CH2:32]1>C1CCOC1.CC(=O)O.CC(=O)O.C[N+](C)(C)C.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[N-:1]=[N+:2]=[N:3][C@H:4]([C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[C@@H:19]([c:20]1[cH:21][cH:22][c:23]([F:24])[cH:25][cH:26]1)[CH:27]1[CH2:28][CH2:29][O:30][CH2:31][CH2:32]1 AEMWUHCKKDPRSK-UHFFFAOYSA-N.VAYUACNNMOZTAU-LEWJYISDSA-N>>ZDYPIMNHKIVWGE-HKBOAZHASA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]>>C-C(-C)-c1:c:c(-C(-C)-C):c(-S(=O)(=O)-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]):c(-C(-C)-C):c:1.[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 5d62210582e8509f7297b5a975afcc5b3dde53629231d99da0265d38e21e8265 Br[Mg][c:12]1[cH:13][c:14]([F:15])[cH:16][cH:17][cH:18]1.[O:1]=[C:2](/[CH:3]=[CH:4]/[c:5]1[cH:6][cH:7][c:8]([Cl:9])[cH:10][cH:11]1)[N:19]1[C:20](=[O:21])[O:22][CH2:23][C@@H:24]1[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1>C1CCOC1.CSC>[O:1]=[C:2]([CH2:3][C@@H:4]([c:5]1[cH:6][cH:7][c:8]([Cl:9])[cH:10][cH:11]1)[c:12]1[cH:13][c:14]([F:15])[cH:16][cH:17][cH:18]1)[N:19]1[C:20](=[O:21])[O:22][CH2:23][C@@H:24]1[c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1 PBMZDPABJDVEOD-YCABEKBOSA-N.VFPDAAQAKDGSHQ-UHFFFAOYSA-M>>VHQSMSMAISTVQK-FCHUYYIVSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C@@H;D3;+0:8](-[c:9])-[c;H0;D3;+0:1](:[c:2]):[c:3]>>Br-[Mg]-[c;H0;D3;+0:1](:[c:2]):[c:3].[#7:4]-[C:5](=[O;D1;H0:6])/[CH;D2;+0:7]=[CH;D2;+0:8]/[c:9] 60c054effc49b32d9c28785ecfbaa15579bd87fda419b117b8f0cd6720239d99 CC(C)c1cc(C(C)C)c(S(=O)(=O)[N:3]=[N+:2]=[N-:1])c(C(C)C)c1.[CH2:4]([C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[C@@H:19]([c:20]1[cH:21][cH:22][c:23]([Cl:24])[cH:25][cH:26]1)[c:27]1[cH:28][c:29]([F:30])[cH:31][cH:32][cH:33]1>C1CCOC1.CC(=O)O.CC(=O)O.C[N+](C)(C)C.C[Si](C)(C)N[Si](C)(C)C.O.[Na+]>[N-:1]=[N+:2]=[N:3][C@H:4]([C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[C@@H:19]([c:20]1[cH:21][cH:22][c:23]([Cl:24])[cH:25][cH:26]1)[c:27]1[cH:28][c:29]([F:30])[cH:31][cH:32][cH:33]1 AEMWUHCKKDPRSK-UHFFFAOYSA-N.VHQSMSMAISTVQK-FCHUYYIVSA-N>>JXTMPMBFGJOYEL-FSSWDIPSSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]>>C-C(-C)-c1:c:c(-C(-C)-C):c(-S(=O)(=O)-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]):c(-C(-C)-C):c:1.[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 5d62210582e8509f7297b5a975afcc5b3dde53629231d99da0265d38e21e8265 CC(C)c1cc(C(C)C)c(S(=O)(=O)[N:3]=[N+:2]=[N-:1])c(C(C)C)c1.[CH2:4]([C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[C:19]1([c:20]2[cH:21][cH:22][c:23]([Cl:24])[cH:25][cH:26]2)[CH2:27][CH2:28][O:29][CH2:30][CH2:31]1>C1CCOC1.CC(=O)O.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[N-:1]=[N+:2]=[N:3][C@H:4]([C:5](=[O:6])[N:7]1[C:8](=[O:9])[O:10][CH2:11][C@@H:12]1[c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[C:19]1([c:20]2[cH:21][cH:22][c:23]([Cl:24])[cH:25][cH:26]2)[CH2:27][CH2:28][O:29][CH2:30][CH2:31]1 AEMWUHCKKDPRSK-UHFFFAOYSA-N.YAKVJTFKGAKEAF-LJQANCHMSA-N>>DXCQJMAEWXWRRT-RTBURBONSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]>>C-C(-C)-c1:c:c(-C(-C)-C):c(-S(=O)(=O)-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]):c(-C(-C)-C):c:1.[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 5d62210582e8509f7297b5a975afcc5b3dde53629231d99da0265d38e21e8265 CC(C)c1cc(C(C)C)c(S(=O)(=O)[N:15]=[N+:16]=[N-:17])c(C(C)C)c1.[CH3:1][C:2]1([CH3:3])[CH2:4][C@@H:5]([C@H:6]([c:7]2[cH:8][cH:9][c:10]([Cl:11])[cH:12][cH:13]2)[CH2:14][C:18](=[O:19])[N:20]2[C:21](=[O:22])[O:23][CH2:24][C@@H:25]2[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[CH2:32][CH2:33][O:34]1>C1CCOC1.CC(=O)O.CC(=O)O.C[N+](C)(C)C.C[Si](C)(C)N[Si](C)(C)C.[Na+]>[CH3:1][C:2]1([CH3:3])[CH2:4][C@@H:5]([C@H:6]([c:7]2[cH:8][cH:9][c:10]([Cl:11])[cH:12][cH:13]2)[C@H:14]([N:15]=[N+:16]=[N-:17])[C:18](=[O:19])[N:20]2[C:21](=[O:22])[O:23][CH2:24][C@@H:25]2[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[CH2:32][CH2:33][O:34]1 AEMWUHCKKDPRSK-UHFFFAOYSA-N.DQTKYSNTPOTQMZ-ILWGZMRPSA-N>>JVKBYDXKTVGEKM-FKVLARQCSA-N 0.0 Unrecognized False substrate controlled False [#7:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[C:8])-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]>>C-C(-C)-c1:c:c(-C(-C)-C):c(-S(=O)(=O)-[N;H0;D2;+0:1]=[#7;+:2]=[N;-;D1;H0:3]):c(-C(-C)-C):c:1.[#7:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8] 5d62210582e8509f7297b5a975afcc5b3dde53629231d99da0265d38e21e8265 [CH3:1][CH:2]([CH2:3][O:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[O:12][c:13]1[cH:14][cH:15][cH:16][c:17]([CH:18]=[O:19])[cH:24]1.[CH3:20][N+:21](=[O:22])[O-:23]>CC(=O)O.CC(=O)O.CC1(C)C2CC[C@@]1(C)C(NCc1ccccn1)C2.CCN(C(C)C)C(C)C.CCO.O.[Cu+2]>[CH3:1][CH:2]([CH2:3][O:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[O:12][c:13]1[cH:14][cH:15][cH:16][c:17]([C@H:18]([OH:19])[CH2:20][N+:21](=[O:22])[O-:23])[cH:24]1 LYGJENNIWJXYER-UHFFFAOYSA-N.TZUMMIBSNGKCOH-UHFFFAOYSA-N>>DRAYVWWDKPJSNE-XPKAQORNSA-N 0.0 Unrecognized False reagent controlled False [#7;+:1]-[CH2;D2;+0:2]-[C@@H;D3;+0:4](-[OH;D1;+0:3])-[c:5]>>[#7;+:1]-[CH3;D1;+0:2].[O;H0;D1;+0:3]=[CH;D2;+0:4]-[c:5] a9a6fac6772d1ac80cd92d4469356a334091651633d75de81d148530e63c47b5 [CH3:1][O:2][C:3](=[O:4])[C:5](=[O:6])[c:7]1[c:8]([Br:9])[c:10]([O:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:19][cH:20][c:21]1[CH3:22]>B1Oc2ccccc2O1.CB1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12.Cc1ccccc1>[CH3:1][O:2][C:3](=[O:4])[C@@H:5]([OH:6])[c:7]1[c:8]([Br:9])[c:10]([O:11][CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:19][cH:20][c:21]1[CH3:22] RECXAAJOCSNICO-UHFFFAOYSA-N>>JOESDNUETSTZFY-INIZCTEOSA-N 0.0 Unrecognized False reagent controlled True [C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[C;D1;H3:1]-[#8:2]-[C:3](=[O;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] 074ef2903a7fab68b183f3b3af90b5fb0f95b908920f7c9d7db8dce536ce27b5 [CH3:1][CH:2]([CH2:3][O:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[O:12][c:13]1[cH:14][cH:15][cH:16][c:17]([CH:18]=[O:19])[cH:24]1.[CH3:20][N+:21](=[O:22])[O-:23]>CC(=O)O.CC(=O)O.CC1(C)C2CC[C@@]1(C)C(NCc1ccccn1)C2.CCN(C(C)C)C(C)C.CCO.O.[Cu+2]>[CH3:1][CH:2]([CH2:3][O:4][CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[O:12][c:13]1[cH:14][cH:15][cH:16][c:17]([C@H:18]([OH:19])[CH2:20][N+:21](=[O:22])[O-:23])[cH:24]1 LYGJENNIWJXYER-UHFFFAOYSA-N.TZUMMIBSNGKCOH-UHFFFAOYSA-N>>DRAYVWWDKPJSNE-XPKAQORNSA-N 0.0 Unrecognized False reagent controlled True [#7;+:1]-[CH2;D2;+0:2]-[C@H;D3;+0:4](-[OH;D1;+0:3])-[c:5]>>[#7;+:1]-[CH3;D1;+0:2].[O;H0;D1;+0:3]=[CH;D2;+0:4]-[c:5] 359183d350fb7dc250b7278bde8b4bd20742541967ba58f422e8b0dcee5d8b73 O=[CH:13][c:14]1[c:15]([F:16])[cH:17][c:18]([O:19][CH:20]2[CH2:21][N:22]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:30]2)[cH:31][c:32]1[F:33].[CH3:1][C@H:2]([CH2:3][c:4]1[cH:5][nH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12)[NH:34][CH2:35][C:36]([CH3:37])([CH3:38])[F:39]>CC(=O)O.Cc1ccccc1>[CH3:1][C@@H:2]1[CH2:3][c:4]2[c:5]([nH:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]23)[C@@H:13]([c:14]2[c:15]([F:16])[cH:17][c:18]([O:19][CH:20]3[CH2:21][N:22]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH2:30]3)[cH:31][c:32]2[F:33])[N:34]1[CH2:35][C:36]([CH3:37])([CH3:38])[F:39] PBIVLMHOKZWHEW-LLVKDONJSA-N.UQQVLFCNWFBJGQ-UHFFFAOYSA-N>>YZLIRBFTVQASQM-XGCWNURASA-N 0.0 Unrecognized True substrate controlled False [nH;D2;+0:7]:[c;H0;D3;+0:6]1:[c;H0;D3;+0:5]-[CH2;D2;+0:4]-[C@H;D3;+0:3]-[N;H0;D3;+0:2]-[C@@H;D3;+0:1]-1>>O=[CH;D2;+0:1].[NH;D2;+0:2]-[C@H;D3;+0:3]-[CH2;D2;+0:4]-[c;H0;D3;+0:5]:[cH;D2;+0:6]:[nH;D2;+0:7] 81d3bf248b3770c09bba4d79710852f1e1c0af20ccf6f2481536b57654e56450 O=[CH:13][c:14]1[c:15]([F:16])[cH:17][c:18]([I:19])[cH:20][c:21]1[F:22].[CH3:1][C@H:2]([CH2:3][c:4]1[cH:5][nH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12)[NH:23][CH2:24][C:25]([CH3:26])([CH3:27])[F:28]>CC(=O)O.Cc1ccccc1>[CH3:1][C@@H:2]1[CH2:3][c:4]2[c:5]([nH:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]23)[C@@H:13]([c:14]2[c:15]([F:16])[cH:17][c:18]([I:19])[cH:20][c:21]2[F:22])[N:23]1[CH2:24][C:25]([CH3:26])([CH3:27])[F:28] PBIVLMHOKZWHEW-LLVKDONJSA-N.WTGSGKPCVNWYDH-UHFFFAOYSA-N>>JUNNVEZJIOYCKZ-XUSGNXJCSA-N 0.0 Unrecognized True substrate controlled False [nH;D2;+0:7]:[c;H0;D3;+0:6]1:[c;H0;D3;+0:5]-[CH2;D2;+0:4]-[C@H;D3;+0:3]-[N;H0;D3;+0:2]-[C@@H;D3;+0:1]-1>>O=[CH;D2;+0:1].[NH;D2;+0:2]-[C@H;D3;+0:3]-[CH2;D2;+0:4]-[c;H0;D3;+0:5]:[cH;D2;+0:6]:[nH;D2;+0:7] 81d3bf248b3770c09bba4d79710852f1e1c0af20ccf6f2481536b57654e56450 O=[CH:13][c:14]1[c:15]([F:16])[cH:17][c:18]([I:19])[cH:20][c:21]1[F:22].[CH3:1][C@H:2]([CH2:3][c:4]1[cH:5][nH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12)[NH2:23]>CC#N.O=C(O)C(F)(F)F>[CH3:1][C@@H:2]1[CH2:3][c:4]2[c:5]([nH:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]23)[C@@H:13]([c:14]2[c:15]([F:16])[cH:17][c:18]([I:19])[cH:20][c:21]2[F:22])[NH:23]1 QSQQQURBVYWZKJ-MRVPVSSYSA-N.WTGSGKPCVNWYDH-UHFFFAOYSA-N>>BBWHMOABULMEDR-DYBLOJMWSA-N 0.0 Unrecognized True substrate controlled False [nH;D2;+0:7]:[c;H0;D3;+0:6]1:[c;H0;D3;+0:5]-[CH2;D2;+0:4]-[C@H;D3;+0:3]-[NH;D2;+0:2]-[C@@H;D3;+0:1]-1>>O=[CH;D2;+0:1].[NH2;D1;+0:2]-[C@H;D3;+0:3]-[CH2;D2;+0:4]-[c;H0;D3;+0:5]:[cH;D2;+0:6]:[nH;D2;+0:7] a09504bb4cd728df12a549a3c79bd02dc8c890127c8e2adcf85c5eec01e9da55 O=[CH:13][c:12]1[c:10]([F:11])[cH:9][c:8]([O:7][CH2:6][CH2:5][O:4][C:2]([CH3:1])=[O:3])[cH:34][c:32]1[F:33].[cH:14]1[c:15]([CH2:16][C@@H:17]([CH3:18])[NH:19][CH2:20][C:21]([CH3:22])([CH3:23])[F:24])[c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2[nH:31]1>CC(=O)O.Cc1ccccc1>[CH3:1][C:2](=[O:3])[O:4][CH2:5][CH2:6][O:7][c:8]1[cH:9][c:10]([F:11])[c:12]([C@@H:13]2[c:14]3[c:15]([c:25]4[cH:26][cH:27][cH:28][cH:29][c:30]4[nH:31]3)[CH2:16][C@@H:17]([CH3:18])[N:19]2[CH2:20][C:21]([CH3:22])([CH3:23])[F:24])[c:32]([F:33])[cH:34]1 JLFNKDAPILPRKF-UHFFFAOYSA-N.PBIVLMHOKZWHEW-LLVKDONJSA-N>>UPRXTXKNVORJRM-SGANQWHYSA-N 0.0 Unrecognized True substrate controlled False [nH;D2;+0:7]:[c;H0;D3;+0:6]1:[c;H0;D3;+0:5]-[CH2;D2;+0:4]-[C@@H;D3;+0:3]-[N;H0;D3;+0:2]-[C@H;D3;+0:1]-1>>O=[CH;D2;+0:1].[NH;D2;+0:2]-[C@@H;D3;+0:3]-[CH2;D2;+0:4]-[c;H0;D3;+0:5]:[cH;D2;+0:6]:[nH;D2;+0:7] 81d3bf248b3770c09bba4d79710852f1e1c0af20ccf6f2481536b57654e56450 O=[CH:13][c:14]1[c:15]([F:16])[cH:17][c:18]([Br:19])[cH:20][c:21]1[F:22].[CH3:1][C@H:2]([CH2:3][c:4]1[cH:5][nH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12)[NH:23][CH2:24][C:25]([CH3:26])([CH3:27])[F:28]>CC(=O)O.Cc1ccccc1>[CH3:1][C@@H:2]1[CH2:3][c:4]2[c:5]([nH:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]23)[C@@H:13]([c:14]2[c:15]([F:16])[cH:17][c:18]([Br:19])[cH:20][c:21]2[F:22])[N:23]1[CH2:24][C:25]([CH3:26])([CH3:27])[F:28] CZGVAISJIQNQEJ-UHFFFAOYSA-N.PBIVLMHOKZWHEW-LLVKDONJSA-N>>GNNLAHQBVALMPT-XUSGNXJCSA-N 0.0 Unrecognized True substrate controlled False [nH;D2;+0:7]:[c;H0;D3;+0:6]1:[c;H0;D3;+0:5]-[CH2;D2;+0:4]-[C@H;D3;+0:3]-[N;H0;D3;+0:2]-[C@@H;D3;+0:1]-1>>O=[CH;D2;+0:1].[NH;D2;+0:2]-[C@H;D3;+0:3]-[CH2;D2;+0:4]-[c;H0;D3;+0:5]:[cH;D2;+0:6]:[nH;D2;+0:7] 81d3bf248b3770c09bba4d79710852f1e1c0af20ccf6f2481536b57654e56450 O=[CH:13][c:14]1[c:15]([F:16])[cH:17][c:18]([I:19])[cH:20][c:21]1[F:22].[CH3:1][C@H:2]([CH2:3][c:4]1[cH:5][nH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12)[NH:23][CH2:24][C:25]([CH3:26])([F:27])[CH2:28][OH:29]>CC(=O)O.Cc1ccccc1>[CH3:1][C@@H:2]1[CH2:3][c:4]2[c:5]([nH:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]23)[C@@H:13]([c:14]2[c:15]([F:16])[cH:17][c:18]([I:19])[cH:20][c:21]2[F:22])[N:23]1[CH2:24][C:25]([CH3:26])([F:27])[CH2:28][OH:29] LLBNXYIFLJLUEA-ZRKZCGFPSA-N.WTGSGKPCVNWYDH-UHFFFAOYSA-N>>DFROPFJQAGXYDR-MGPSFKBSSA-N 0.0 Unrecognized True substrate controlled False [nH;D2;+0:7]:[c;H0;D3;+0:6]1:[c;H0;D3;+0:5]-[CH2;D2;+0:4]-[C@H;D3;+0:3]-[N;H0;D3;+0:2]-[C@@H;D3;+0:1]-1>>O=[CH;D2;+0:1].[NH;D2;+0:2]-[C@H;D3;+0:3]-[CH2;D2;+0:4]-[c;H0;D3;+0:5]:[cH;D2;+0:6]:[nH;D2;+0:7] 81d3bf248b3770c09bba4d79710852f1e1c0af20ccf6f2481536b57654e56450 O=[CH:13][c:14]1[c:15]([F:16])[cH:17][c:18]([I:19])[cH:20][c:21]1[F:22].[CH3:1][C@H:2]([CH2:3][c:4]1[cH:5][nH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12)[NH:23][CH2:24][C:25]([F:26])([F:27])[F:28]>CC(=O)O.Cc1ccccc1>[CH3:1][C@@H:2]1[CH2:3][c:4]2[c:5]([nH:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]23)[C@@H:13]([c:14]2[c:15]([F:16])[cH:17][c:18]([I:19])[cH:20][c:21]2[F:22])[N:23]1[CH2:24][C:25]([F:26])([F:27])[F:28] WTGSGKPCVNWYDH-UHFFFAOYSA-N.ZGLNHSCSGHYBCC-SECBINFHSA-N>>WYVLVJDEJNRPIP-GIGQVBGESA-N 0.0 Unrecognized True substrate controlled False [nH;D2;+0:7]:[c;H0;D3;+0:6]1:[c;H0;D3;+0:5]-[CH2;D2;+0:4]-[C@H;D3;+0:3]-[N;H0;D3;+0:2]-[C@@H;D3;+0:1]-1>>O=[CH;D2;+0:1].[NH;D2;+0:2]-[C@H;D3;+0:3]-[CH2;D2;+0:4]-[c;H0;D3;+0:5]:[cH;D2;+0:6]:[nH;D2;+0:7] 81d3bf248b3770c09bba4d79710852f1e1c0af20ccf6f2481536b57654e56450 O=[CH:13][c:14]1[c:15]([F:16])[cH:17][c:18]([I:19])[cH:20][c:21]1[F:22].[CH3:1][C@H:2]([CH2:3][c:4]1[cH:5][nH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12)[NH:23][CH2:24][C:25]([F:26])([F:27])[CH2:28][OH:29]>CC(=O)O.Cc1ccccc1.O>[CH3:1][C@@H:2]1[CH2:3][c:4]2[c:5]([nH:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]23)[C@@H:13]([c:14]2[c:15]([F:16])[cH:17][c:18]([I:19])[cH:20][c:21]2[F:22])[N:23]1[CH2:24][C:25]([F:26])([F:27])[CH2:28][OH:29] NUMQSSSVVADVQJ-SNVBAGLBSA-N.WTGSGKPCVNWYDH-UHFFFAOYSA-N>>JTXUMVJMAOMUPG-BIBXISHDSA-N 0.0 Unrecognized True substrate controlled False [nH;D2;+0:7]:[c;H0;D3;+0:6]1:[c;H0;D3;+0:5]-[CH2;D2;+0:4]-[C@H;D3;+0:3]-[N;H0;D3;+0:2]-[C@@H;D3;+0:1]-1>>O=[CH;D2;+0:1].[NH;D2;+0:2]-[C@H;D3;+0:3]-[CH2;D2;+0:4]-[c;H0;D3;+0:5]:[cH;D2;+0:6]:[nH;D2;+0:7] 81d3bf248b3770c09bba4d79710852f1e1c0af20ccf6f2481536b57654e56450 O=[CH:13][c:14]1[c:15]([F:16])[cH:17][c:18]([Br:19])[cH:20][c:21]1[F:22].[CH3:1][C@H:2]([CH2:3][c:4]1[cH:5][nH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12)[NH:23][CH2:24][C:25]([F:26])([F:27])[F:28]>CC(=O)O.Cc1ccccc1>[CH3:1][C@@H:2]1[CH2:3][c:4]2[c:5]([nH:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]23)[C@@H:13]([c:14]2[c:15]([F:16])[cH:17][c:18]([Br:19])[cH:20][c:21]2[F:22])[N:23]1[CH2:24][C:25]([F:26])([F:27])[F:28] CZGVAISJIQNQEJ-UHFFFAOYSA-N.ZGLNHSCSGHYBCC-SECBINFHSA-N>>RBAUEPYBFJHKBZ-GIGQVBGESA-N 0.0 Unrecognized True substrate controlled False [nH;D2;+0:7]:[c;H0;D3;+0:6]1:[c;H0;D3;+0:5]-[CH2;D2;+0:4]-[C@H;D3;+0:3]-[N;H0;D3;+0:2]-[C@@H;D3;+0:1]-1>>O=[CH;D2;+0:1].[NH;D2;+0:2]-[C@H;D3;+0:3]-[CH2;D2;+0:4]-[c;H0;D3;+0:5]:[cH;D2;+0:6]:[nH;D2;+0:7] 81d3bf248b3770c09bba4d79710852f1e1c0af20ccf6f2481536b57654e56450 O=[CH:13][c:14]1[c:15]([F:16])[cH:17][c:18]([I:19])[cH:20][c:21]1[F:22].[CH3:1][C@H:2]([CH2:3][c:4]1[cH:5][nH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12)[NH:23][CH2:24][CH:25]([F:26])[F:27]>CC(=O)O.Cc1ccccc1>[CH3:1][C@@H:2]1[CH2:3][c:4]2[c:5]([nH:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]23)[C@@H:13]([c:14]2[c:15]([F:16])[cH:17][c:18]([I:19])[cH:20][c:21]2[F:22])[N:23]1[CH2:24][CH:25]([F:26])[F:27] WTGSGKPCVNWYDH-UHFFFAOYSA-N.ZLDWJAIYYIWNKM-SECBINFHSA-N>>GWKPBXLMPOBLFC-CFMSYZGJSA-N 0.0 Unrecognized True substrate controlled False [nH;D2;+0:7]:[c;H0;D3;+0:6]1:[c;H0;D3;+0:5]-[CH2;D2;+0:4]-[C@H;D3;+0:3]-[N;H0;D3;+0:2]-[C@@H;D3;+0:1]-1>>O=[CH;D2;+0:1].[NH;D2;+0:2]-[C@H;D3;+0:3]-[CH2;D2;+0:4]-[c;H0;D3;+0:5]:[cH;D2;+0:6]:[nH;D2;+0:7] 81d3bf248b3770c09bba4d79710852f1e1c0af20ccf6f2481536b57654e56450 O=[CH:13][c:14]1[c:15]([F:16])[cH:17][c:18]([Br:19])[cH:20][c:21]1[F:22].[CH3:1][C@H:2]([CH2:3][c:4]1[cH:5][nH:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12)[NH:23][CH2:24][C:25]([F:26])([F:27])[CH2:28][OH:29]>CC(=O)O.Cc1ccccc1.O>[CH3:1][C@@H:2]1[CH2:3][c:4]2[c:5]([nH:6][c:7]3[cH:8][cH:9][cH:10][cH:11][c:12]23)[C@@H:13]([c:14]2[c:15]([F:16])[cH:17][c:18]([Br:19])[cH:20][c:21]2[F:22])[N:23]1[CH2:24][C:25]([F:26])([F:27])[CH2:28][OH:29] CZGVAISJIQNQEJ-UHFFFAOYSA-N.NUMQSSSVVADVQJ-SNVBAGLBSA-N>>REFMCNOVXIVZAX-BIBXISHDSA-N 0.0 Unrecognized True substrate controlled False [nH;D2;+0:7]:[c;H0;D3;+0:6]1:[c;H0;D3;+0:5]-[CH2;D2;+0:4]-[C@H;D3;+0:3]-[N;H0;D3;+0:2]-[C@@H;D3;+0:1]-1>>O=[CH;D2;+0:1].[NH;D2;+0:2]-[C@H;D3;+0:3]-[CH2;D2;+0:4]-[c;H0;D3;+0:5]:[cH;D2;+0:6]:[nH;D2;+0:7] 81d3bf248b3770c09bba4d79710852f1e1c0af20ccf6f2481536b57654e56450 O=P(c1ccccc1)(c1ccccc1)[N:15]=[N+:16]=[N-:17].O[C@@H:14]1[C@@H:9]([NH:8][C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:10][C@@H:11]2[CH2:12][C@@H:13]21>C1CCOC1.CC(C)OC(=O)N=NC(=O)OC(C)C.CCN(C(C)C)C(C)C.CCOCC.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@H:9]1[CH2:10][C@@H:11]2[CH2:12][C@@H:13]2[C@H:14]1[N:15]=[N+:16]=[N-:17] MKRTXPORKIRPDG-UHFFFAOYSA-N.PXDKHDGGCKAFGW-JBDRJPRFSA-N>>CFFYCEVRZBZJJW-XSPKLOCKSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@H;D3;+0:1](-[C:2])-[C:3].O=P(-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6])(-c1:c:c:c:c:c:1)-c1:c:c:c:c:c:1 2d2b06031c0792813e1e1c17acf5a6e3575385ad0deb2346d3069e4d65fa7aa2 O=P(c1ccccc1)(c1ccccc1)[N:15]=[N+:16]=[N-:17].O[C@H:14]1[C@H:9]([NH:8][C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:10][C@H:11]2[CH2:12][C@H:13]21>C1CCOC1.CC(C)OC(=O)N=NC(=O)OC(C)C.CCN(C(C)C)C(C)C.CCOCC.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]1[CH2:10][C@H:11]2[CH2:12][C@H:13]2[C@@H:14]1[N:15]=[N+:16]=[N-:17] MKRTXPORKIRPDG-UHFFFAOYSA-N.PXDKHDGGCKAFGW-FNCVBFRFSA-N>>CFFYCEVRZBZJJW-BGZDPUMWSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@H;D3;+0:1](-[C:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@@H;D3;+0:1](-[C:2])-[C:3].O=P(-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6])(-c1:c:c:c:c:c:1)-c1:c:c:c:c:c:1 1dfe6fc86feb2fcbb977c63bc91c9fcde39b2898f3a59bc75335a8ddd198fe1a O=P(c1ccccc1)(c1ccccc1)[N:15]=[N+:16]=[N-:17].O[C@@H:14]1[C@@H:9]([NH:8][C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:10][O:11][CH2:12][CH2:13]1>C1CCOC1.CC(C)OC(=O)N=NC(=O)OC(C)C.CCN(C(C)C)C(C)C.CCOCC.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@H:9]1[CH2:10][O:11][CH2:12][CH2:13][C@H:14]1[N:15]=[N+:16]=[N-:17] FSSQTAOGGBWNKE-YUMQZZPRSA-N.MKRTXPORKIRPDG-UHFFFAOYSA-N>>ONIFJYIOJUHWRX-SFYZADRCSA-N 0.0 Unrecognized False stereospecific False [C:2]-[C@@H;D3;+0:1](-[C:3])-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6]>>O-[C@H;D3;+0:1](-[C:2])-[C:3].O=P(-[N;H0;D2;+0:4]=[#7;+:5]=[N;-;D1;H0:6])(-c1:c:c:c:c:c:1)-c1:c:c:c:c:c:1 2d2b06031c0792813e1e1c17acf5a6e3575385ad0deb2346d3069e4d65fa7aa2 O[C@@H:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[CH:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([cH:9][cH:10]1)[c:11]1[c:12]([cH:13][c:14](-[c:15]3[c:16]([CH3:17])[n:18][n:19][n:20]3[CH3:21])[cH:22][n:23]1)[nH:24]2>Cc1ccccc1>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([cH:9][cH:10]1)[c:11]1[c:12]([cH:13][c:14](-[c:15]3[c:16]([CH3:17])[n:18][n:19][n:20]3[CH3:21])[cH:22][n:23]1)[n:24]2[C@H:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[CH:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1 DAXAFMSSNPTLPA-LBPRGKRZSA-N.RVUSENKHCOWPBB-UHFFFAOYSA-N>>RKFHTZWMHLVDAK-MUUNZHRXSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]1:[c:6]:[n;H0;D3;+0:7](-[C@@H;D3;+0:1](-[C:2])-[c:3]):[c:8]2:[c:9]:[c:10](-[C:11](=[O;D1;H0:12])-[#8:13]-[C;D1;H3:14]):[c:15]:[c:16]:[c:17]:1:2>>O-[C@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]1:[c:6]:[nH;D2;+0:7]:[c:8]2:[c:9]:[c:10](-[C:11](=[O;D1;H0:12])-[#8:13]-[C;D1;H3:14]):[c:15]:[c:16]:[c:17]:1:2 67ccfa7bb894e8aa518a7859a368a1c54ddf52d309def72e381fa76ec6b85053 O[C@@H:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[CH:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1.[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7]([F:8])[c:9]([F:10])[c:11]2[c:12]1[c:13]1[c:14]([cH:15][c:16]([Br:17])[cH:18][n:19]1)[nH:20]2>CC(C)OC(=O)/N=N/C(=O)OC(C)C.ClCCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7]([F:8])[c:9]([F:10])[c:11]2[c:12]1[c:13]1[c:14]([cH:15][c:16]([Br:17])[cH:18][n:19]1)[n:20]2[C@H:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[CH:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1 DAXAFMSSNPTLPA-LBPRGKRZSA-N.GUPUPTKXQYQQMS-UHFFFAOYSA-N>>BQWHWWQBVNDVIN-HSZRJFAPSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[c:6]:[n;H0;D3;+0:7](:[c:8])-[C@@H;D3;+0:1](-[C:2])-[c:3]>>O-[C@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]:[c:6]:[nH;D2;+0:7]:[c:8] 49b985903a1950003e7ac135baa16b49150db057681af933e2a141c3ccdb7734 O[C@@H:25]([c:26]1[cH:27][cH:28][c:29]([F:30])[cH:31][cH:32]1)[CH:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[CH3:1][c:2]1[n:3][o:4][c:5]([CH3:6])[c:7]1-[c:8]1[cH:9][c:10]2[c:11]([n:12][cH:13]1)[c:14]1[c:15]([cH:16][c:17]([S:18]([CH3:19])(=[O:20])=[O:21])[cH:22][cH:23]1)[nH:24]2>Cc1noc(C)c1-c1cnc2c3ccc(S(C)(=O)=O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1>[CH3:1][c:2]1[n:3][o:4][c:5]([CH3:6])[c:7]1-[c:8]1[cH:9][c:10]2[c:11]([n:12][cH:13]1)[c:14]1[c:15]([cH:16][c:17]([S:18]([CH3:19])(=[O:20])=[O:21])[cH:22][cH:23]1)[n:24]2[C@H:25]([c:26]1[cH:27][cH:28][c:29]([F:30])[cH:31][cH:32]1)[CH:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1 LNKZCJQREHCDDW-UHFFFAOYSA-N.RHPKTMHDMKKTIW-LBPRGKRZSA-N>>SPNWDORXJDSTCU-GDLZYMKVSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[c:6]:[n;H0;D3;+0:7](:[c:8])-[C@@H;D3;+0:1](-[C:2])-[c:3]>>O-[C@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]:[c:6]:[nH;D2;+0:7]:[c:8] 49b985903a1950003e7ac135baa16b49150db057681af933e2a141c3ccdb7734 O[C@@H:21]([c:22]1[c:23]([F:24])[cH:25][cH:26][cH:27][cH:28]1)[CH:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1.[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([S:7]([CH3:8])(=[O:9])=[O:10])[c:11]2[c:12]1[c:13]1[c:14]([cH:15][c:16]([Br:17])[cH:18][n:19]1)[nH:20]2>Cc1nnn(C)c1-c1cnc2c3ccc(S(C)(=O)=O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([S:7]([CH3:8])(=[O:9])=[O:10])[c:11]2[c:12]1[c:13]1[c:14]([cH:15][c:16]([Br:17])[cH:18][n:19]1)[n:20]2[C@H:21]([c:22]1[c:23]([F:24])[cH:25][cH:26][cH:27][cH:28]1)[CH:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1 IAMZTMVJONKNEQ-GFCCVEGCSA-N.PKDVGZKAYZZGPZ-UHFFFAOYSA-N>>UWFZKEGTCWEWJF-DEOSSOPVSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[c:6]:[n;H0;D3;+0:7](:[c:8])-[C@@H;D3;+0:1](-[C:2])-[c:3]>>O-[C@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]:[c:6]:[nH;D2;+0:7]:[c:8] 49b985903a1950003e7ac135baa16b49150db057681af933e2a141c3ccdb7734 O[C@@H:13]([c:14]1[cH:15][cH:16][c:17]([F:18])[cH:19][cH:20]1)[CH:21]1[CH2:22][CH2:23][O:24][CH2:25][CH2:26]1.[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([F:9])[c:10]2[c:11]1[nH:12][c:27]1[c:28]2[n:29][cH:30][c:31]([Br:32])[cH:33]1>CC(C)OC(=O)/N=N/C(=O)OC(C)C.Cc1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([F:9])[c:10]2[c:11]1[n:12]([C@H:13]([c:14]1[cH:15][cH:16][c:17]([F:18])[cH:19][cH:20]1)[CH:21]1[CH2:22][CH2:23][O:24][CH2:25][CH2:26]1)[c:27]1[c:28]2[n:29][cH:30][c:31]([Br:32])[cH:33]1 JQDICBWNEKDJQL-UHFFFAOYSA-N.RHPKTMHDMKKTIW-LBPRGKRZSA-N>>DSKHFMSFEQWBOP-HSZRJFAPSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[c:6]:[n;H0;D3;+0:7](:[c:8])-[C@@H;D3;+0:1](-[C:2])-[c:3]>>O-[C@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]:[c:6]:[nH;D2;+0:7]:[c:8] 49b985903a1950003e7ac135baa16b49150db057681af933e2a141c3ccdb7734 O[C@@H:21]([c:22]1[cH:23][cH:24][c:25]([F:26])[cH:27][cH:28]1)[CH:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1.[CH3:1][c:2]1[c:3](-[c:4]2[cH:5][c:6]3[c:7]([n:8][cH:9]2)[c:10]2[c:11]([cH:12][cH:13][cH:14][c:15]2[S:16]([CH3:17])(=[O:18])=[O:19])[nH:20]3)[n:35]([CH3:36])[n:37][n:38]1>C1CCOC1.CC(C)OC(=O)/N=N/C(=O)OC(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][c:2]1[c:3](-[c:4]2[cH:5][c:6]3[c:7]([n:8][cH:9]2)[c:10]2[c:11]([cH:12][cH:13][cH:14][c:15]2[S:16]([CH3:17])(=[O:18])=[O:19])[n:20]3[C@H:21]([c:22]2[cH:23][cH:24][c:25]([F:26])[cH:27][cH:28]2)[CH:29]2[CH2:30][CH2:31][O:32][CH2:33][CH2:34]2)[n:35]([CH3:36])[n:37][n:38]1 HJZKNAKPASLIFE-UHFFFAOYSA-N.RHPKTMHDMKKTIW-LBPRGKRZSA-N>>XVYNEJPGQNHFES-MUUNZHRXSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[c:6]:[n;H0;D3;+0:7](:[c:8])-[C@@H;D3;+0:1](-[C:2])-[c:3]>>O-[C@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]:[c:6]:[nH;D2;+0:7]:[c:8] 49b985903a1950003e7ac135baa16b49150db057681af933e2a141c3ccdb7734 O[C@@H:27]([c:28]1[cH:29][cH:30][c:31]([F:32])[cH:33][cH:34]1)[CH:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([cH:9][c:10]1[O:11][CH3:12])[c:13]1[c:14]([cH:15][c:16](-[c:17]3[c:18]([CH3:19])[n:20][n:21][n:22]3[CH3:23])[cH:24][n:25]1)[nH:26]2>CC(C)OC(=O)/N=N/C(=O)OC(C)C.Cc1ccccc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([cH:9][c:10]1[O:11][CH3:12])[c:13]1[c:14]([cH:15][c:16](-[c:17]3[c:18]([CH3:19])[n:20][n:21][n:22]3[CH3:23])[cH:24][n:25]1)[n:26]2[C@H:27]([c:28]1[cH:29][cH:30][c:31]([F:32])[cH:33][cH:34]1)[CH:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1 JEMFDNFNLAFXJJ-UHFFFAOYSA-N.RHPKTMHDMKKTIW-LBPRGKRZSA-N>>GXBAFZXPNQZXJL-GDLZYMKVSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]1:[c:6]:[n;H0;D3;+0:7](-[C@@H;D3;+0:1](-[C:2])-[c:3]):[c:8]2:[c:9]:[c:10](-[C:11](=[O;D1;H0:12])-[#8:13]-[C;D1;H3:14]):[c:15]:[c:16]:[c:17]:1:2>>O-[C@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]1:[c:6]:[nH;D2;+0:7]:[c:8]2:[c:9]:[c:10](-[C:11](=[O;D1;H0:12])-[#8:13]-[C;D1;H3:14]):[c:15]:[c:16]:[c:17]:1:2 67ccfa7bb894e8aa518a7859a368a1c54ddf52d309def72e381fa76ec6b85053 O[C@@H:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[CH:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([cH:9][c:10]1[O:11][CH3:12])[c:13]1[c:14]([cH:15][c:16](-[c:17]3[c:18]([CH3:19])[n:20][n:21][n:22]3[CH3:23])[cH:24][n:25]1)[nH:26]2>C1CCOC1.CC(C)OC(=O)/N=N/C(=O)OC(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([cH:9][c:10]1[O:11][CH3:12])[c:13]1[c:14]([cH:15][c:16](-[c:17]3[c:18]([CH3:19])[n:20][n:21][n:22]3[CH3:23])[cH:24][n:25]1)[n:26]2[C@H:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[CH:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1 DAXAFMSSNPTLPA-LBPRGKRZSA-N.JEMFDNFNLAFXJJ-UHFFFAOYSA-N>>OBRCLCGSFQGMOL-GDLZYMKVSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]1:[c:6]:[n;H0;D3;+0:7](-[C@@H;D3;+0:1](-[C:2])-[c:3]):[c:8]2:[c:9]:[c:10](-[C:11](=[O;D1;H0:12])-[#8:13]-[C;D1;H3:14]):[c:15]:[c:16]:[c:17]:1:2>>O-[C@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]1:[c:6]:[nH;D2;+0:7]:[c:8]2:[c:9]:[c:10](-[C:11](=[O;D1;H0:12])-[#8:13]-[C;D1;H3:14]):[c:15]:[c:16]:[c:17]:1:2 67ccfa7bb894e8aa518a7859a368a1c54ddf52d309def72e381fa76ec6b85053 O[C@@H:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[CH:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([O:7][CH3:8])[c:9]2[c:10]([cH:11][cH:12]1)[c:13]1[c:14]([cH:15][c:16](-[c:17]3[c:18]([CH3:19])[n:20][n:21][n:22]3[CH3:23])[cH:24][n:25]1)[nH:26]2>C1CCOC1.CC(C)OC(=O)/N=N/C(=O)OC(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6]([O:7][CH3:8])[c:9]2[c:10]([cH:11][cH:12]1)[c:13]1[c:14]([cH:15][c:16](-[c:17]3[c:18]([CH3:19])[n:20][n:21][n:22]3[CH3:23])[cH:24][n:25]1)[n:26]2[C@H:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[CH:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1 BIKSHCDRDQIPGE-UHFFFAOYSA-N.DAXAFMSSNPTLPA-LBPRGKRZSA-N>>MQDWGIOPKTUGCU-HHHXNRCGSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]1:[c:6]:[n;H0;D3;+0:7](-[C@@H;D3;+0:1](-[C:2])-[c:3]):[c:8]2:[c:9]:[c:10](-[C:11](=[O;D1;H0:12])-[#8:13]-[C;D1;H3:14]):[c:15]:[c:16]:[c:17]:1:2>>O-[C@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]1:[c:6]:[nH;D2;+0:7]:[c:8]2:[c:9]:[c:10](-[C:11](=[O;D1;H0:12])-[#8:13]-[C;D1;H3:14]):[c:15]:[c:16]:[c:17]:1:2 67ccfa7bb894e8aa518a7859a368a1c54ddf52d309def72e381fa76ec6b85053 O[C@@H:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[CH:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([c:9]([F:10])[cH:11]1)[c:12]1[c:13]([cH:14][c:15](-[c:16]3[c:17]([CH3:18])[n:19][n:20][n:21]3[CH3:22])[cH:23][n:24]1)[nH:25]2>CC(C)OC(=O)/N=N/C(=O)OC(C)C.ClCCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([c:9]([F:10])[cH:11]1)[c:12]1[c:13]([cH:14][c:15](-[c:16]3[c:17]([CH3:18])[n:19][n:20][n:21]3[CH3:22])[cH:23][n:24]1)[n:25]2[C@H:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[CH:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1 DAXAFMSSNPTLPA-LBPRGKRZSA-N.TZODTISYHKVYIX-UHFFFAOYSA-N>>XQJWZISYONKNAQ-MUUNZHRXSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]1:[c:6]:[n;H0;D3;+0:7](-[C@@H;D3;+0:1](-[C:2])-[c:3]):[c:8]2:[c:9]:[c:10](-[C:11](=[O;D1;H0:12])-[#8:13]-[C;D1;H3:14]):[c:15]:[c:16]:[c:17]:1:2>>O-[C@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]1:[c:6]:[nH;D2;+0:7]:[c:8]2:[c:9]:[c:10](-[C:11](=[O;D1;H0:12])-[#8:13]-[C;D1;H3:14]):[c:15]:[c:16]:[c:17]:1:2 67ccfa7bb894e8aa518a7859a368a1c54ddf52d309def72e381fa76ec6b85053 O[C@@H:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH:25]1[CH2:26][CH2:27][O:28][CH2:29][CH2:30]1.[CH3:1][S:2](=[O:3])[c:4]1[cH:5][c:6]2[c:7]([cH:8][cH:9]1)[c:10]1[c:11]([cH:12][c:13]([Br:14])[cH:15][n:16]1)[nH:17]2>CC(C)OC(=O)/N=N/C(=O)OC(C)C.CCOC(C)=O.CO.ClCCl.ClCCl.ClCCl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][S:2](=[O:3])[c:4]1[cH:5][c:6]2[c:7]([cH:8][cH:9]1)[c:10]1[c:11]([cH:12][c:13]([Br:14])[cH:15][n:16]1)[n:17]2[C@H:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH:25]1[CH2:26][CH2:27][O:28][CH2:29][CH2:30]1 DAXAFMSSNPTLPA-LBPRGKRZSA-N.JGIZBJVXMPQVIW-UHFFFAOYSA-N>>XRBMBRNLJXCVSJ-DDAUYOFQSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[c:6]:[n;H0;D3;+0:7](:[c:8])-[C@@H;D3;+0:1](-[C:2])-[c:3]>>O-[C@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]:[c:6]:[nH;D2;+0:7]:[c:8] 49b985903a1950003e7ac135baa16b49150db057681af933e2a141c3ccdb7734 O[C@H:21]([CH2:22][CH2:23][C:24]([F:25])([F:26])[F:27])[c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[CH3:1][c:2]1[c:3](-[c:4]2[cH:5][c:6]3[c:7]([n:8][cH:9]2)[c:10]2[c:11]([c:12]([S:13]([CH3:14])(=[O:15])=[O:16])[cH:17][cH:18][cH:19]2)[nH:20]3)[n:34]([CH3:35])[n:36][n:37]1>Cc1nnn(C)c1-c1cnc2c3c(F)cc(C(C)(C)O)cc3n([C@H](c3ccccc3)C3CCOCC3)c2c1>[CH3:1][c:2]1[c:3](-[c:4]2[cH:5][c:6]3[c:7]([n:8][cH:9]2)[c:10]2[c:11]([c:12]([S:13]([CH3:14])(=[O:15])=[O:16])[cH:17][cH:18][cH:19]2)[n:20]3[C@@H:21]([CH2:22][CH2:23][C:24]([F:25])([F:26])[F:27])[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[n:34]([CH3:35])[n:36][n:37]1 UJYFFRDJKKVCBI-SECBINFHSA-N.YJJBJHYFZIAUCL-UHFFFAOYSA-N>>IELPYTOSWDINDP-FQEVSTJZSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[c:6]:[n;H0;D3;+0:7](:[c:8])-[C@@H;D3;+0:1](-[C:2])-[c:3]>>O-[C@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]:[c:6]:[nH;D2;+0:7]:[c:8] 49b985903a1950003e7ac135baa16b49150db057681af933e2a141c3ccdb7734 O[C@@H:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[CH:26]1[CH2:27][CH2:28][O:29][CH2:30][CH2:31]1.[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7]2[c:8]([cH:9][cH:10]1)[c:11]1[c:12]([cH:13][c:14]([Br:15])[cH:16][n:17]1)[nH:18]2>C1CCOC1.CC(C)OC(=O)/N=N/C(=O)OC(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][c:7]2[c:8]([cH:9][cH:10]1)[c:11]1[c:12]([cH:13][c:14]([Br:15])[cH:16][n:17]1)[n:18]2[C@H:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[CH:26]1[CH2:27][CH2:28][O:29][CH2:30][CH2:31]1 DAXAFMSSNPTLPA-LBPRGKRZSA-N.UROMHTNODYXORI-UHFFFAOYSA-N>>JCBRAVSPZGGVKT-XMMPIXPASA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[c:6]:[n;H0;D3;+0:7](:[c:8])-[C@@H;D3;+0:1](-[C:2])-[c:3]>>O-[C@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]:[c:6]:[nH;D2;+0:7]:[c:8] 49b985903a1950003e7ac135baa16b49150db057681af933e2a141c3ccdb7734 O[C@@H:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[CH:25]1[CH2:26][CH2:27][O:28][CH2:29][CH2:30]1.[CH3:1][c:2]1[c:3](-[c:4]2[cH:5][c:6]3[c:7]([n:8][cH:9]2)[c:10]2[c:11]([cH:12][c:13]([Cl:14])[cH:15][cH:16]2)[nH:17]3)[n:31]([CH3:32])[n:33][n:34]1>C1CCOC1.CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][c:2]1[c:3](-[c:4]2[cH:5][c:6]3[c:7]([n:8][cH:9]2)[c:10]2[c:11]([cH:12][c:13]([Cl:14])[cH:15][cH:16]2)[n:17]3[C@H:18]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH:25]2[CH2:26][CH2:27][O:28][CH2:29][CH2:30]2)[n:31]([CH3:32])[n:33][n:34]1 DAXAFMSSNPTLPA-LBPRGKRZSA-N.JHAOUMLKHHCWGK-UHFFFAOYSA-N>>BFOQLSMYMYVPJE-HHHXNRCGSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[c:6]:[n;H0;D3;+0:7](:[c:8])-[C@@H;D3;+0:1](-[C:2])-[c:3]>>O-[C@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]:[c:6]:[nH;D2;+0:7]:[c:8] 49b985903a1950003e7ac135baa16b49150db057681af933e2a141c3ccdb7734 O[C@@H:10]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[CH:17]1[CH2:18][CH2:19][O:20][CH2:21][CH2:22]1.[F:1][c:2]1[c:3]([Cl:4])[cH:5][cH:6][c:7]2[c:8]1[nH:9][c:23]1[c:24]2[n:25][cH:26][c:27]([Br:28])[cH:29]1>C1CCOC1.CC(C)(C)OC(=O)N=NC(=O)OC(C)(C)C.O=C(O)C(F)(F)F.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[F:1][c:2]1[c:3]([Cl:4])[cH:5][cH:6][c:7]2[c:8]1[n:9]([C@H:10]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[CH:17]1[CH2:18][CH2:19][O:20][CH2:21][CH2:22]1)[c:23]1[c:24]2[n:25][cH:26][c:27]([Br:28])[cH:29]1 DAXAFMSSNPTLPA-LBPRGKRZSA-N.KHEXLNSWWAEVQQ-UHFFFAOYSA-N>>UGGRYAHTLOHRGE-JOCHJYFZSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[c:6]:[n;H0;D3;+0:7](:[c:8])-[C@@H;D3;+0:1](-[C:2])-[c:3]>>O-[C@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]:[c:6]:[nH;D2;+0:7]:[c:8] 49b985903a1950003e7ac135baa16b49150db057681af933e2a141c3ccdb7734 O[C@@H:11]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[CH:18]1[CH2:19][CH2:20][O:21][CH2:22][CH2:23]1.[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([F:7])[c:8]1[Cl:9])[nH:10][c:24]1[c:25]2[n:26][cH:27][c:28]([Br:29])[cH:30]1>C1CCOC1.CC(C)OC(=O)/N=N/C(=O)OC(C)C.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[F:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([F:7])[c:8]1[Cl:9])[n:10]([C@H:11]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[CH:18]1[CH2:19][CH2:20][O:21][CH2:22][CH2:23]1)[c:24]1[c:25]2[n:26][cH:27][c:28]([Br:29])[cH:30]1 DAXAFMSSNPTLPA-LBPRGKRZSA-N.QSXYTKLJWYSEEI-UHFFFAOYSA-N>>WSJUUNLVUODROP-JOCHJYFZSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[c:6]:[n;H0;D3;+0:7](:[c:8])-[C@@H;D3;+0:1](-[C:2])-[c:3]>>O-[C@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]:[c:6]:[nH;D2;+0:7]:[c:8] 49b985903a1950003e7ac135baa16b49150db057681af933e2a141c3ccdb7734 [CH3:1][c:2]1[c:3]([C:4](=[O:5])[C@@H:6]2[CH2:7][CH2:8][C:9](=[O:10])[N:11]2[CH2:12][CH2:13][NH:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[cH:22][cH:23][c:24]([F:25])[cH:26]1>C1CCOC1>[CH3:1][c:2]1[c:3]([C@@H:4]([OH:5])[C@@H:6]2[CH2:7][CH2:8][C:9](=[O:10])[N:11]2[CH2:12][CH2:13][NH:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[cH:22][cH:23][c:24]([F:25])[cH:26]1 VFPFAUKKRLDMCM-HNNXBMFYSA-N>>MVVSPWYWSJLOPI-DOTOQJQBSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@H;D3;+0:3](-[OH;D1;+0:4])-[c:5]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](=[O;H0;D1;+0:4])-[c:5] 24bd21e01ae6832b448f5ff180c8f19c1bab0319ab6ecd5e16239727690fa2af [CH3:1][c:2]1[c:3]([C:4](=[O:5])[C@@H:6]2[CH2:7][CH2:8][C:9](=[O:10])[N:11]2[CH2:12][CH2:13][NH:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[cH:22][cH:23][c:24]([O:25][CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33]1>C1CCOC1>[CH3:1][c:2]1[c:3]([C@@H:4]([OH:5])[C@@H:6]2[CH2:7][CH2:8][C:9](=[O:10])[N:11]2[CH2:12][CH2:13][NH:14][C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[cH:22][cH:23][c:24]([O:25][CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:33]1 UIIDNNSYFDBVBF-QFIPXVFZSA-N>>ZPRHCNASXGEKNY-LADGPHEKSA-N 0.0 Unrecognized False substrate controlled False [#7:1]-[C:2]-[C@H;D3;+0:3](-[OH;D1;+0:4])-[c:5]>>[#7:1]-[C:2]-[C;H0;D3;+0:3](=[O;H0;D1;+0:4])-[c:5] 24bd21e01ae6832b448f5ff180c8f19c1bab0319ab6ecd5e16239727690fa2af [CH3:1][c:2]1[cH:3][s:4][cH:5][c:6]1[C:7](=[O:8])[C@@H:9]1[CH2:10][CH2:11][C:12](=[O:13])[N:14]1[CH2:15][CH2:16][NH:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24]>C1CCOC1>[CH3:1][c:2]1[cH:3][s:4][cH:5][c:6]1[C@@H:7]([OH:8])[C@@H:9]1[CH2:10][CH2:11][C:12](=[O:13])[N:14]1[CH2:15][CH2:16][NH:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24] MIOONWIYBNMWIG-ZDUSSCGKSA-N>>FUIZAJJBVUBOGT-DZGCQCFKSA-N 0.0 Unrecognized False substrate controlled False [#16;a:1]:[c:2]:[c:3]-[C@@H;D3;+0:4](-[OH;D1;+0:5])-[C:6]-[#7:7]>>[#16;a:1]:[c:2]:[c:3]-[C;H0;D3;+0:4](=[O;H0;D1;+0:5])-[C:6]-[#7:7] ad88ac0526a87829aa2da9f1091499a65dcf4ce81448ef85dcbc3949385754e0 I[CH3:1].[CH2:2]1[CH2:3][C@@H:4]([CH2:5][O:6][Si:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[C:20]([CH3:21])([CH3:22])[CH3:23])[O:24][C:25]1=[O:26]>C1CCOC1.CC(C)NC(C)C.CCCCCC.[Li]CCCC>[CH3:1][C@@H:2]1[CH2:3][C@@H:4]([CH2:5][O:6][Si:7]([c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[C:20]([CH3:21])([CH3:22])[CH3:23])[O:24][C:25]1=[O:26] INQOMBQAUSQDDS-UHFFFAOYSA-N.LZDTYPTYCSPHBT-KRWDZBQOSA-N>>XBHGPYCZPIKCFG-MSOLQXFVSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C:3]1-[#8:4]-[C:5](=[O;D1;H0:6])-[C@H;D3;+0:7](-[CH3;D1;+0:1])-[C:8]-1>>I-[CH3;D1;+0:1].[C:2]-[C:3]1-[#8:4]-[C:5](=[O;D1;H0:6])-[CH2;D2;+0:7]-[C:8]-1 a0232773ed6af598139386f4740639e73ee21eeadb57f264c3fcd32fc667b9f6 CS(=O)(=O)O[C@@H:9]1[CH2:10][N:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:19][C@@H:20]1[CH3:21].[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([OH:8])[c:22]([NH2:23])[n:24][cH:25]1>CCOC(C)=O.CN(C)C=O.O=C(O)O.[Cs+].[Cs+]>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([O:8][C@H:9]2[CH2:10][N:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:19][C@@H:20]2[CH3:21])[c:22]([NH2:23])[n:24][cH:25]1 JZZUMLPVFMKHKC-UHFFFAOYSA-N.ZFHJZKJCQXQWGE-DTWKUNHWSA-N>>JNMYOLYAPVNYBH-GWCFXTLKSA-N 0.0 Unrecognized False stereospecific False [#7:4]-[C:3]-[C@@H;D3;+0:1](-[C:2])-[O;H0;D2;+0:8]-[c:7]:[c:6]:[#7;a:5]>>C-S(=O)(=O)-O-[C@@H;D3;+0:1](-[C:2])-[C:3]-[#7:4].[#7;a:5]:[c:6]:[c:7]-[OH;D1;+0:8] 084bec53a4890fe38087b4232dc3f1bec2f9bd01bd85487054c60b2ce3f1955c O[C@H:23]1[CH2:24][CH2:25][c:26]2[c:27]([C:28]([F:29])([F:30])[F:31])[cH:32][cH:33][cH:34][c:35]21.[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][n:8](-[c:9]2[cH:10][c:11]3[c:12]([cH:13][cH:14]2)[n:15]([CH3:16])[c:17](=[O:18])[o:19]3)[c:20](=[O:21])[nH:22][c:36]1=[O:37]>C1CCOC1.CC(C)OC(=O)N=NC(=O)OC(C)C.CN(C)C=O.O.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][n:8](-[c:9]2[cH:10][c:11]3[c:12]([cH:13][cH:14]2)[n:15]([CH3:16])[c:17](=[O:18])[o:19]3)[c:20](=[O:21])[n:22]([C@@H:23]2[CH2:24][CH2:25][c:26]3[c:27]([C:28]([F:29])([F:30])[F:31])[cH:32][cH:33][cH:34][c:35]32)[c:36]1=[O:37] PCXNKGLGVPENKC-UHFFFAOYSA-N.WYRONQVMJMJUKG-VIFPVBQESA-N>>ILPFCUWNONQHOL-GOSISDBHSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[n;H0;D3;+0:6](:[c:7])-[C@H;D3;+0:1](-[C:2])-[c:3]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]:[nH;D2;+0:6]:[c:7] 5bbd056119f6393d3f09c4f1eb8120cf9dbef9d7ccf69627f11d995c800fd3e9 O[C@H:24]1[CH2:25][CH2:26][c:27]2[c:28]([C:29]([F:30])([F:31])[F:32])[cH:33][cH:34][cH:35][c:36]21.[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][n:8](-[c:9]2[cH:10][c:11]3[c:12]([cH:13][cH:14]2)[n:15]([CH3:16])[c:17](=[O:18])[n:19]3[CH3:20])[c:21](=[O:22])[nH:23][c:37]1=[O:38]>C1CCOC1.CC(C)OC(=O)N=NC(=O)OC(C)C.CCOC(C)=O.CN(C)C=O.Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][n:8](-[c:9]2[cH:10][c:11]3[c:12]([cH:13][cH:14]2)[n:15]([CH3:16])[c:17](=[O:18])[n:19]3[CH3:20])[c:21](=[O:22])[n:23]([C@@H:24]2[CH2:25][CH2:26][c:27]3[c:28]([C:29]([F:30])([F:31])[F:32])[cH:33][cH:34][cH:35][c:36]32)[c:37]1=[O:38] DRTMUUSCJUMCSC-UHFFFAOYSA-N.WYRONQVMJMJUKG-VIFPVBQESA-N>>BXQNQUINFKEYQR-LJQANCHMSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[n;H0;D3;+0:6](:[c:7])-[C@H;D3;+0:1](-[C:2])-[c:3]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]:[nH;D2;+0:6]:[c:7] 5bbd056119f6393d3f09c4f1eb8120cf9dbef9d7ccf69627f11d995c800fd3e9 O[C@H:24]1[CH2:25][CH2:26][c:27]2[c:28]([C:29]([F:30])([F:31])[F:32])[cH:33][cH:34][cH:35][c:36]21.[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][n:8](-[c:9]2[cH:10][cH:11][c:12]([N:13]3[CH2:14][CH2:15][O:16][C:17]3=[O:18])[cH:19][cH:20]2)[c:21](=[O:22])[nH:23][c:37]1=[O:38]>C1CCOC1.CC(C)OC(=O)N=NC(=O)OC(C)C.CCOC(C)=O.CN(C)C=O.Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][CH2:2][O:3][C:4](=[O:5])[c:6]1[cH:7][n:8](-[c:9]2[cH:10][cH:11][c:12]([N:13]3[CH2:14][CH2:15][O:16][C:17]3=[O:18])[cH:19][cH:20]2)[c:21](=[O:22])[n:23]([C@@H:24]2[CH2:25][CH2:26][c:27]3[c:28]([C:29]([F:30])([F:31])[F:32])[cH:33][cH:34][cH:35][c:36]32)[c:37]1=[O:38] NPEXAEAKNVAIAR-UHFFFAOYSA-N.WYRONQVMJMJUKG-VIFPVBQESA-N>>WVMSXJCPCJMFRL-OAQYLSRUSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[n;H0;D3;+0:6](:[c:7])-[C@H;D3;+0:1](-[C:2])-[c:3]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]:[nH;D2;+0:6]:[c:7] 5bbd056119f6393d3f09c4f1eb8120cf9dbef9d7ccf69627f11d995c800fd3e9 O[C@H:20]1[CH2:21][CH2:22][c:23]2[c:24]([C:25]([F:26])([F:27])[F:28])[cH:29][cH:30][cH:31][c:32]21.[CH3:1][n:2]1[c:3](=[O:4])[n:5]([CH3:6])[c:7]2[c:8]1[cH:9][cH:10][c:11](-[n:12]1[cH:13][c:14]([C:15]#[N:16])[c:17](=[O:18])[nH:19][c:33]1=[O:34])[cH:35]2>C1CCOC1.CC(C)OC(=O)N=NC(=O)OC(C)C.CN(C)C=O.Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][n:2]1[c:3](=[O:4])[n:5]([CH3:6])[c:7]2[c:8]1[cH:9][cH:10][c:11](-[n:12]1[cH:13][c:14]([C:15]#[N:16])[c:17](=[O:18])[n:19]([C@@H:20]3[CH2:21][CH2:22][c:23]4[c:24]([C:25]([F:26])([F:27])[F:28])[cH:29][cH:30][cH:31][c:32]43)[c:33]1=[O:34])[cH:35]2 MNLBWRWQDYCBDE-UHFFFAOYSA-N.WYRONQVMJMJUKG-VIFPVBQESA-N>>DLRVYBOAGLYITI-GOSISDBHSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[n;H0;D3;+0:6](:[c:7])-[C@H;D3;+0:1](-[C:2])-[c:3]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]:[nH;D2;+0:6]:[c:7] 5bbd056119f6393d3f09c4f1eb8120cf9dbef9d7ccf69627f11d995c800fd3e9 O[C@H:19]1[CH2:20][CH2:21][c:22]2[c:23]([C:24]([F:25])([F:26])[F:27])[cH:28][cH:29][cH:30][c:31]21.[CH3:1][n:2]1[c:3](=[O:4])[o:5][c:6]2[c:7]1[cH:8][cH:9][c:10](-[n:11]1[cH:12][c:13]([C:14]#[N:15])[c:16](=[O:17])[nH:18][c:32]1=[O:33])[cH:34]2>C1CCOC1.CC(C)OC(=O)N=NC(=O)OC(C)C.CN(C)C=O.Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][n:2]1[c:3](=[O:4])[o:5][c:6]2[c:7]1[cH:8][cH:9][c:10](-[n:11]1[cH:12][c:13]([C:14]#[N:15])[c:16](=[O:17])[n:18]([C@@H:19]3[CH2:20][CH2:21][c:22]4[c:23]([C:24]([F:25])([F:26])[F:27])[cH:28][cH:29][cH:30][c:31]43)[c:32]1=[O:33])[cH:34]2 WYRONQVMJMJUKG-VIFPVBQESA-N.ZOROSOZEMMYSRZ-UHFFFAOYSA-N>>IATNUFMSOLRLAT-QGZVFWFLSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[n;H0;D3;+0:6](:[c:7])-[C@H;D3;+0:1](-[C:2])-[c:3]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]:[nH;D2;+0:6]:[c:7] 5bbd056119f6393d3f09c4f1eb8120cf9dbef9d7ccf69627f11d995c800fd3e9 O[C@H:19]1[CH2:20][CH2:21][c:22]2[c:23]([C:24]([F:25])([F:26])[F:27])[cH:28][cH:29][cH:30][c:31]21.[CH3:1][n:2]1[c:3](=[O:4])[s:5][c:6]2[c:7]1[cH:8][cH:9][c:10](-[n:11]1[cH:12][c:13]([C:14]#[N:15])[c:16](=[O:17])[nH:18][c:32]1=[O:33])[cH:34]2>C1CCOC1.CC(C)OC(=O)N=NC(=O)OC(C)C.CN(C)C=O.Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][n:2]1[c:3](=[O:4])[s:5][c:6]2[c:7]1[cH:8][cH:9][c:10](-[n:11]1[cH:12][c:13]([C:14]#[N:15])[c:16](=[O:17])[n:18]([C@@H:19]3[CH2:20][CH2:21][c:22]4[c:23]([C:24]([F:25])([F:26])[F:27])[cH:28][cH:29][cH:30][c:31]43)[c:32]1=[O:33])[cH:34]2 GOOSKEKGOXQUNV-UHFFFAOYSA-N.WYRONQVMJMJUKG-VIFPVBQESA-N>>WXUCFEBOSKDJPV-QGZVFWFLSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[n;H0;D3;+0:6](:[c:7])-[C@H;D3;+0:1](-[C:2])-[c:3]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]:[nH;D2;+0:6]:[c:7] 5bbd056119f6393d3f09c4f1eb8120cf9dbef9d7ccf69627f11d995c800fd3e9 O[C@H:9]1[CH2:10][CH2:11][c:12]2[c:13]([C:14]([F:15])([F:16])[F:17])[cH:18][cH:19][cH:20][c:21]21.[CH3:1][c:2]1[c:3]([C:4]#[N:5])[c:6](=[O:7])[nH:8][c:22](=[O:23])[n:24]1-[c:25]1[cH:26][c:27]2[c:28]([cH:29][cH:30]1)[n:31]([CH3:32])[c:33](=[O:34])[o:35]2>C1CCOC1.CC(C)OC(=O)N=NC(=O)OC(C)C.CCOC(C)=O.CN(C)C=O.Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1>[CH3:1][c:2]1[c:3]([C:4]#[N:5])[c:6](=[O:7])[n:8]([C@@H:9]2[CH2:10][CH2:11][c:12]3[c:13]([C:14]([F:15])([F:16])[F:17])[cH:18][cH:19][cH:20][c:21]32)[c:22](=[O:23])[n:24]1-[c:25]1[cH:26][c:27]2[c:28]([cH:29][cH:30]1)[n:31]([CH3:32])[c:33](=[O:34])[o:35]2 LVJVABUXWUHOQP-UHFFFAOYSA-N.WYRONQVMJMJUKG-VIFPVBQESA-N>>FIVRMPBEEHEWQS-GOSISDBHSA-N 0.0 Unrecognized False stereospecific False [#7;a:4]:[c:5]:[n;H0;D3;+0:6](:[c:7])-[C@H;D3;+0:1](-[C:2])-[c:3]>>O-[C@@H;D3;+0:1](-[C:2])-[c:3].[#7;a:4]:[c:5]:[nH;D2;+0:6]:[c:7] 5bbd056119f6393d3f09c4f1eb8120cf9dbef9d7ccf69627f11d995c800fd3e9 [CH:5](=[O:6])[c:7]1[cH:8][c:9]([O:10][CH2:11][CH2:12][O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:21][cH:22][cH:23]1.[O:1]=[N+:2]([O-:3])[CH3:4]>CC(=O)O.CC(=O)O.CC1(C)C2CC[C@@]1(C)C(NCc1ccccn1)C2.CCN(C(C)C)C(C)C.CCO.COC(C)(C)C.Cl.O=C(O)C(F)(F)F.[Cu+2]>[O:1]=[N+:2]([O-:3])[CH2:4][C@@H:5]([OH:6])[c:7]1[cH:8][c:9]([O:10][CH2:11][CH2:12][O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:21][cH:22][cH:23]1 DIDUSPQIIVEBOF-UHFFFAOYSA-N.LYGJENNIWJXYER-UHFFFAOYSA-N>>YIWCQIDDQMFDFM-QGZVFWFLSA-N 0.0 Unrecognized False reagent controlled False [#7;+:1]-[CH2;D2;+0:2]-[C@@H;D3;+0:4](-[OH;D1;+0:3])-[c:5]>>[#7;+:1]-[CH3;D1;+0:2].[O;H0;D1;+0:3]=[CH;D2;+0:4]-[c:5] a9a6fac6772d1ac80cd92d4469356a334091651633d75de81d148530e63c47b5 [O:1]=[C:2]([c:3]1[c:4]([I:5])[cH:6][c:7]([Cl:8])[cH:9][cH:10]1)[C:11]([F:12])([F:13])[F:14]>CC#N.CCOC(C)=O.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)cc1.O.O=CO.Cl.Cl.Cl.Cl.Cl.[Ir+3].[Ir+3].[Ir].[K+].[Na+]>[OH:1][C@H:2]([c:3]1[c:4]([I:5])[cH:6][c:7]([Cl:8])[cH:9][cH:10]1)[C:11]([F:12])([F:13])[F:14] WQNJTFPOJVPBTD-UHFFFAOYSA-N>>KLYBPRTXXUNALC-SSDOTTSWSA-N 0.0 Unrecognized False reagent controlled False [F;D1;H0:1]-[C:2](-[F;D1;H0:3])(-[F;D1;H0:4])-[C@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[F;D1;H0:1]-[C:2](-[F;D1;H0:3])(-[F;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] d17dd205cc19199172eaeb12b551d63836609b40f7a607c6224f17ce22e070da [O:1]=[C:2]([c:3]1[c:4](-[c:5]2[cH:6][cH:7][cH:8][cH:9][cH:10]2)[cH:11][c:12]([Cl:13])[cH:14][cH:15]1)[C:16]([F:17])([F:18])[F:19]>CC#N.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)cc1.O.O=CO.Cl.Cl.Cl.Cl.[Ir+3].[Ir+3].[K+]>[OH:1][C@H:2]([c:3]1[c:4](-[c:5]2[cH:6][cH:7][cH:8][cH:9][cH:10]2)[cH:11][c:12]([Cl:13])[cH:14][cH:15]1)[C:16]([F:17])([F:18])[F:19] BAGRLUZOGPUTER-UHFFFAOYSA-N>>GLVKDJBUPPJGRI-CYBMUJFWSA-N 0.0 Unrecognized False reagent controlled False [F;D1;H0:1]-[C:2](-[F;D1;H0:3])(-[F;D1;H0:4])-[C@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[F;D1;H0:1]-[C:2](-[F;D1;H0:3])(-[F;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] d17dd205cc19199172eaeb12b551d63836609b40f7a607c6224f17ce22e070da CC(C)(C)OC(=O)[NH:5][C@@H:6]1C[CH2:7][CH2:8][NH:9][CH2:27]1.Cl[c:10]1[n:11][c:12](Cl)[c:21]([C:22]([NH2:23])=[O:24])[cH:25][cH:26]1.O[C:3]([CH:2]=[CH2:1])=[O:4].[NH2:13][CH:14]1[CH2:15][CH2:16][N:17]([CH3:18])[CH2:19][CH2:20]1>O>[CH2:1]=[CH:2][C:3](=[O:4])[NH:5][C@H:6]1[CH2:7][CH2:8][N:9]([c:10]2[n:11][c:12]([NH:13][CH:14]3[CH2:15][CH2:16][N:17]([CH3:18])[CH2:19][CH2:20]3)[c:21]([C:22]([NH2:23])=[O:24])[cH:25][cH:26]2)[CH2:27]1 ALOCUZOKRULSAA-UHFFFAOYSA-N.NIXOWILDQLNWCW-UHFFFAOYSA-N.TZQZNPXAAMVOKE-UHFFFAOYSA-N.WUOQXNWMYLFAHT-MRVPVSSYSA-N>>CSUQGHHEJGUALP-AWEZNQCLSA-N 0.0 Unrecognized False stereospecific False [C:19]-[NH;D2;+0:20]-[c;H0;D3;+0:10](:[#7;a:9]:[c;H0;D3;+0:7](:[c:8])-[N;H0;D3;+0:5]1-[C:6]-[C@@H;D3;+0:2](-[NH;D2;+0:1]-[C;H0;D3;+0:15](=[O;D1;H0:16])-[C:17]=[C;D1;H2:18])-[CH2;D2;+0:3]-[C:4]-1):[c:11]-[C:12](-[N;D1;H2:13])=[O;D1;H0:14]>>C-C(-C)(-C)-O-C(=O)-[NH;D2;+0:1]-[C@@H;D3;+0:2]1-C-[CH2;D2;+0:3]-[C:4]-[NH;D2;+0:5]-[C:6]-1.Cl-[c;H0;D3;+0:7](:[c:8]):[#7;a:9]:[c;H0;D3;+0:10](-Cl):[c:11]-[C:12](-[N;D1;H2:13])=[O;D1;H0:14].O-[C;H0;D3;+0:15](=[O;D1;H0:16])-[C:17]=[C;D1;H2:18].[C:19]-[NH2;D1;+0:20] ee5d42bedf4349154a3fb8f71fdfce4fe7b85e2eadfa4a87573db8543e06939a CC(C)(C)OC(=O)[NH:5][C@@H:6]1C[CH2:7][CH2:8][NH:9][CH2:26]1.Cl[c:10]1[n:11][c:12](Cl)[c:20]([C:21]([NH2:22])=[O:23])[cH:24][cH:25]1.O[C:3]([CH:2]=[CH2:1])=[O:4].[NH2:13][CH:14]1[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1>>[CH2:1]=[CH:2][C:3](=[O:4])[NH:5][C@H:6]1[CH2:7][CH2:8][N:9]([c:10]2[n:11][c:12]([NH:13][CH:14]3[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]3)[c:20]([C:21]([NH2:22])=[O:23])[cH:24][cH:25]2)[CH2:26]1 NIXOWILDQLNWCW-UHFFFAOYSA-N.PAFZNILMFXTMIY-UHFFFAOYSA-N.TZQZNPXAAMVOKE-UHFFFAOYSA-N.WUOQXNWMYLFAHT-MRVPVSSYSA-N>>KVMKVVKCTSLERB-AWEZNQCLSA-N 0.0 Unrecognized False stereospecific False [C:19]-[NH;D2;+0:20]-[c;H0;D3;+0:10](:[#7;a:9]:[c;H0;D3;+0:7](:[c:8])-[N;H0;D3;+0:5]1-[C:6]-[C@@H;D3;+0:2](-[NH;D2;+0:1]-[C;H0;D3;+0:15](=[O;D1;H0:16])-[C:17]=[C;D1;H2:18])-[CH2;D2;+0:3]-[C:4]-1):[c:11]-[C:12](-[N;D1;H2:13])=[O;D1;H0:14]>>C-C(-C)(-C)-O-C(=O)-[NH;D2;+0:1]-[C@@H;D3;+0:2]1-C-[CH2;D2;+0:3]-[C:4]-[NH;D2;+0:5]-[C:6]-1.Cl-[c;H0;D3;+0:7](:[c:8]):[#7;a:9]:[c;H0;D3;+0:10](-Cl):[c:11]-[C:12](-[N;D1;H2:13])=[O;D1;H0:14].O-[C;H0;D3;+0:15](=[O;D1;H0:16])-[C:17]=[C;D1;H2:18].[C:19]-[NH2;D1;+0:20] ee5d42bedf4349154a3fb8f71fdfce4fe7b85e2eadfa4a87573db8543e06939a CC(C)(C)OC(=O)[NH:5][C@@H:6]1C[CH2:7][CH2:8][NH:9][CH2:26]1.Cl[c:10]1[n:11][c:12](Cl)[c:20]([C:21]([NH2:22])=[O:23])[cH:24][cH:25]1.O[C:3]([CH:2]=[CH2:1])=[O:4].[NH2:13][CH:14]1[CH2:15][CH2:16][O:17][CH2:18][CH2:19]1>>[CH2:1]=[CH:2][C:3](=[O:4])[NH:5][C@H:6]1[CH2:7][CH2:8][N:9]([c:10]2[n:11][c:12]([NH:13][CH:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[c:20]([C:21]([NH2:22])=[O:23])[cH:24][cH:25]2)[CH2:26]1 AHVQYHFYQWKUKB-UHFFFAOYSA-N.NIXOWILDQLNWCW-UHFFFAOYSA-N.TZQZNPXAAMVOKE-UHFFFAOYSA-N.WUOQXNWMYLFAHT-MRVPVSSYSA-N>>OBGVUMJJIPKOBE-ZDUSSCGKSA-N 0.0 Unrecognized False stereospecific False [C:19]-[NH;D2;+0:20]-[c;H0;D3;+0:10](:[#7;a:9]:[c;H0;D3;+0:7](:[c:8])-[N;H0;D3;+0:5]1-[C:6]-[C@@H;D3;+0:2](-[NH;D2;+0:1]-[C;H0;D3;+0:15](=[O;D1;H0:16])-[C:17]=[C;D1;H2:18])-[CH2;D2;+0:3]-[C:4]-1):[c:11]-[C:12](-[N;D1;H2:13])=[O;D1;H0:14]>>C-C(-C)(-C)-O-C(=O)-[NH;D2;+0:1]-[C@@H;D3;+0:2]1-C-[CH2;D2;+0:3]-[C:4]-[NH;D2;+0:5]-[C:6]-1.Cl-[c;H0;D3;+0:7](:[c:8]):[#7;a:9]:[c;H0;D3;+0:10](-Cl):[c:11]-[C:12](-[N;D1;H2:13])=[O;D1;H0:14].O-[C;H0;D3;+0:15](=[O;D1;H0:16])-[C:17]=[C;D1;H2:18].[C:19]-[NH2;D1;+0:20] ee5d42bedf4349154a3fb8f71fdfce4fe7b85e2eadfa4a87573db8543e06939a CC(C)(C)OC(=O)[NH:5][C@@H:6]1C[CH2:7][CH2:8][NH:9][CH2:28]1.Cl[c:10]1[n:11][c:12](Cl)[c:22]([C:23]([NH2:24])=[O:25])[cH:26][cH:27]1.O[C:3]([CH:2]=[CH2:1])=[O:4].[NH2:13][CH2:14][CH2:15][N:16]1[CH2:17][CH2:18][O:19][CH2:20][CH2:21]1>CS(C)=O>[CH2:1]=[CH:2][C:3](=[O:4])[NH:5][C@H:6]1[CH2:7][CH2:8][N:9]([c:10]2[n:11][c:12]([NH:13][CH2:14][CH2:15][N:16]3[CH2:17][CH2:18][O:19][CH2:20][CH2:21]3)[c:22]([C:23]([NH2:24])=[O:25])[cH:26][cH:27]2)[CH2:28]1 NIXOWILDQLNWCW-UHFFFAOYSA-N.RWIVICVCHVMHMU-UHFFFAOYSA-N.TZQZNPXAAMVOKE-UHFFFAOYSA-N.WUOQXNWMYLFAHT-MRVPVSSYSA-N>>JAFQGQWUFBERIC-AWEZNQCLSA-N 0.0 Unrecognized False stereospecific False [C:19]-[NH;D2;+0:20]-[c;H0;D3;+0:10](:[#7;a:9]:[c;H0;D3;+0:7](:[c:8])-[N;H0;D3;+0:5]1-[C:6]-[C@@H;D3;+0:2](-[NH;D2;+0:1]-[C;H0;D3;+0:15](=[O;D1;H0:16])-[C:17]=[C;D1;H2:18])-[CH2;D2;+0:3]-[C:4]-1):[c:11]-[C:12](-[N;D1;H2:13])=[O;D1;H0:14]>>C-C(-C)(-C)-O-C(=O)-[NH;D2;+0:1]-[C@@H;D3;+0:2]1-C-[CH2;D2;+0:3]-[C:4]-[NH;D2;+0:5]-[C:6]-1.Cl-[c;H0;D3;+0:7](:[c:8]):[#7;a:9]:[c;H0;D3;+0:10](-Cl):[c:11]-[C:12](-[N;D1;H2:13])=[O;D1;H0:14].O-[C;H0;D3;+0:15](=[O;D1;H0:16])-[C:17]=[C;D1;H2:18].[C:19]-[NH2;D1;+0:20] ee5d42bedf4349154a3fb8f71fdfce4fe7b85e2eadfa4a87573db8543e06939a O=[C:13]1[CH2:12][CH2:11][CH2:10][C@@H:9]([NH:8][C:6]([O:5][C:2]([CH3:1])([CH3:3])[CH3:4])=[O:7])[CH2:27]1.[NH2:14][C@H:15]([c:16]1[cH:17][cH:18][c:19]([Br:20])[cH:21][cH:22]1)[C:23]([F:24])([F:25])[F:26]>CC(=O)O.CC(=O)OB(OC(C)=O)OC(C)=O.CCN(C(C)C)C(C)C.Cl.ClCCCl.ClCCl.O=C(O)O.[Na+].[Na+]>[CH3:1][C:2]([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C@@H:9]1[CH2:10][CH2:11][CH2:12][C@H:13]([NH:14][C@H:15]([c:16]2[cH:17][cH:18][c:19]([Br:20])[cH:21][cH:22]2)[C:23]([F:24])([F:25])[F:26])[CH2:27]1 VGDCXKATFLOEHF-MRVPVSSYSA-N.ZUFCCCNTJRQNCF-SSDOTTSWSA-N>>FVORCLGZPFVTFA-ARFHVFGLSA-N 0.0 Unrecognized False substrate controlled False [C:2]-[C@H;D3;+0:1](-[C:3])-[NH;D2;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1>>O=[C;H0;D3;+0:1](-[C:2])-[C:3].[NH2;D1;+0:4]-[C:5]-[c:6]1:[c:7]:[c:8]:[c:9]:[c:10]:[c:11]:1 8d7f71fe86028e9e12d66697fadec826dce8c59099c83dd66a3093c4f969778a [CH:5](=[O:6])[c:7]1[cH:8][c:9]([O:10][CH2:11][CH2:12][O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:21][cH:22][cH:23]1.[O:1]=[N+:2]([O-:3])[CH3:4]>CC(=O)O.CC(=O)O.CC1(C)C2CC[C@@]1(C)C(NCc1ccccn1)C2.CCN(C(C)C)C(C)C.CCO.COC(C)(C)C.Cl.O=C(O)C(F)(F)F.[Cu+2]>[O:1]=[N+:2]([O-:3])[CH2:4][C@@H:5]([OH:6])[c:7]1[cH:8][c:9]([O:10][CH2:11][CH2:12][O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:21][cH:22][cH:23]1 DIDUSPQIIVEBOF-UHFFFAOYSA-N.LYGJENNIWJXYER-UHFFFAOYSA-N>>YIWCQIDDQMFDFM-QGZVFWFLSA-N 0.0 Unrecognized False reagent controlled True [#7;+:1]-[CH2;D2;+0:2]-[C@H;D3;+0:4](-[OH;D1;+0:3])-[c:5]>>[#7;+:1]-[CH3;D1;+0:2].[O;H0;D1;+0:3]=[CH;D2;+0:4]-[c:5] 359183d350fb7dc250b7278bde8b4bd20742541967ba58f422e8b0dcee5d8b73 [O:1]=[C:2]([c:3]1[c:4]([I:5])[cH:6][c:7]([Cl:8])[cH:9][cH:10]1)[C:11]([F:12])([F:13])[F:14]>CC#N.CCOC(C)=O.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)cc1.O.O=CO.Cl.Cl.Cl.Cl.Cl.[Ir+3].[Ir+3].[Ir].[K+].[Na+]>[OH:1][C@H:2]([c:3]1[c:4]([I:5])[cH:6][c:7]([Cl:8])[cH:9][cH:10]1)[C:11]([F:12])([F:13])[F:14] WQNJTFPOJVPBTD-UHFFFAOYSA-N>>KLYBPRTXXUNALC-SSDOTTSWSA-N 0.0 Unrecognized False reagent controlled True [F;D1;H0:1]-[C:2](-[F;D1;H0:3])(-[F;D1;H0:4])-[C@@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[F;D1;H0:1]-[C:2](-[F;D1;H0:3])(-[F;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] e3115ac00e9946e99d57636218d37722602b399b987a1f74ce78220f89451d99 [O:1]=[C:2]([c:3]1[c:4](-[c:5]2[cH:6][cH:7][cH:8][cH:9][cH:10]2)[cH:11][c:12]([Cl:13])[cH:14][cH:15]1)[C:16]([F:17])([F:18])[F:19]>CC#N.Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2)[C@H](N)c2ccccc2)cc1.O.O=CO.Cl.Cl.Cl.Cl.[Ir+3].[Ir+3].[K+]>[OH:1][C@H:2]([c:3]1[c:4](-[c:5]2[cH:6][cH:7][cH:8][cH:9][cH:10]2)[cH:11][c:12]([Cl:13])[cH:14][cH:15]1)[C:16]([F:17])([F:18])[F:19] BAGRLUZOGPUTER-UHFFFAOYSA-N>>GLVKDJBUPPJGRI-CYBMUJFWSA-N 0.0 Unrecognized False reagent controlled True [F;D1;H0:1]-[C:2](-[F;D1;H0:3])(-[F;D1;H0:4])-[C@@H;D3;+0:5](-[OH;D1;+0:6])-[c:7]>>[F;D1;H0:1]-[C:2](-[F;D1;H0:3])(-[F;D1;H0:4])-[C;H0;D3;+0:5](=[O;H0;D1;+0:6])-[c:7] e3115ac00e9946e99d57636218d37722602b399b987a1f74ce78220f89451d99