HRID1141227

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

结构：COc1cccc(CN(CC(O)C(Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(=O)NC(C)c3ccc(F)cc3)cc(C(C)O)c2)C(=O)OC(C)(C)C)c1

HCID178490330

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(CNCC(O)C(Cc2cc(F)cc(F)c2)NC(=O)c2cc(C(=O)NC(C)c3ccc(F)cc3)cc(C(C)O)c2)c1

HCID178490329

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5c585d200e646feb2ff52aa5032d7b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[N:7]([CH2:8][c:9]1[cH:10][c:11]([O:15][CH3:16])[cH:12][cH:13][cH:14]1)[CH2:17][CH:18]([CH:19]([CH2:20][c:21]1[cH:22][c:23]([F:28])[cH:24][c:25]([F:27])[cH:26]1)[NH:29][C:30]([c:31]1[cH:32][c:33]([C:40]([NH:41][CH:42]([CH3:43])[c:44]2[cH:45][cH:46][c:47]([F:50])[cH:48][cH:49]2)=[O:51])[cH:34][c:35]([CH:37]([CH3:38])[OH:39])[cH:36]1)=[O:52])[OH:53])([CH3:5])([CH3:6])[CH3:54].[ClH:55]>>[NH:7]([CH2:8][c:9]1[cH:10][c:11]([O:15][CH3:16])[cH:12][cH:13][cH:14]1)[CH2:17][CH:18]([CH:19]([CH2:20][c:21]1[cH:22][c:23]([F:28])[cH:24][c:25]([F:27])[cH:26]1)[NH:29][C:30]([c:31]1[cH:32][c:33]([C:40]([NH:41][CH:42]([CH3:43])[c:44]2[cH:45][cH:46][c:47]([F:50])[cH:48][cH:49]2)=[O:51])[cH:34][c:35]([CH:37]([CH3:38])[OH:39])[cH:36]1)=[O:52])[OH:53]