HRID947437

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID58727793

未命名化合物

HCID58728292

未命名化合物

PRODUCTS

产物

HCID53257735

GSK163929B

C36H40ClF2N5O3S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f89c9f7abd94441daa87d10826bfb6fb
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应SMILES

[Cl:34][c:35]1[c:36]([C:37](=[O:38])[OH:39])[cH:40][c:41]([S:45](=[O:46])(=[O:47])[NH:48][CH3:49])[c:42]([F:44])[cH:43]1.[F:1][c:2]1[cH:3][c:4]([C:8]2([CH2:14][CH2:15][N:16]3[CH:17]4[CH2:18][CH:19]([n:24]5[c:25]([CH3:33])[n:26][c:27]6[c:28]5[cH:29][cH:30][cH:31][cH:32]6)[CH2:20][CH:21]3[CH2:22][CH2:23]4)[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1>>[F:1][c:2]1[cH:3][c:4]([C:8]2([CH2:14][CH2:15][N:16]3[CH:17]4[CH2:18][CH:19]([n:24]5[c:25]([CH3:33])[n:26][c:27]6[c:28]5[cH:29][cH:30][cH:31][cH:32]6)[CH2:20][CH:21]3[CH2:22][CH2:23]4)[CH2:9][CH2:10][N:11]([C:37]([c:36]3[c:35]([Cl:34])[cH:43][c:42]([F:44])[c:41]([S:45](=[O:46])(=[O:47])[NH:48][CH3:49])[cH:40]3)=[O:38])[CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1