HRID2316501

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：COc1ccc(C(CC(=O)Nc2ccc(NC(=O)Nc3ccccc3C)cc2)NC(=O)c2ccc(C(=O)OC(C)(C)C)cc2)cc1OC

HCID10146247

tert-Butyl-4-{[(1-(3,4-dimethoxyphenyl)-3-{[4-({[(2-methylphenyl)amino]carbonyl}amino) phenyl]amino}-3-oxopropyl)amino]carbonyl}benzoate

C37H40N4O7

PRODUCTS

生成物

结构：COc1ccc(C(CC(=O)Nc2ccc(NC(=O)Nc3ccccc3C)cc2)NC(=O)c2ccc(C(=O)O)cc2)cc1OC

HCID10304060

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f637a0f6cda4937b4f2284afa0e6eef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([c:7]1[cH:8][cH:9][c:10]([C:13](=[O:14])[NH:15][CH:16]([CH2:17][C:18](=[O:19])[NH:20][c:21]2[cH:22][cH:23][c:24]([NH:27][C:28](=[O:29])[NH:30][c:31]3[c:32]([CH3:37])[cH:33][cH:34][cH:35][cH:36]3)[cH:25][cH:26]2)[c:38]2[cH:39][c:40]([O:46][CH3:47])[c:41]([O:44][CH3:45])[cH:42][cH:43]2)[cH:11][cH:12]1)=[O:48].[Cl:56][CH2:57][Cl:58].[F:49][C:50]([F:51])([F:52])[C:53]([OH:54])=[O:55]>>[O:5]=[C:6]([c:7]1[cH:8][cH:9][c:10]([C:13](=[O:14])[NH:15][CH:16]([CH2:17][C:18](=[O:19])[NH:20][c:21]2[cH:22][cH:23][c:24]([NH:27][C:28](=[O:29])[NH:30][c:31]3[c:32]([CH3:37])[cH:33][cH:34][cH:35][cH:36]3)[cH:25][cH:26]2)[c:38]2[cH:39][c:40]([O:46][CH3:47])[c:41]([O:44][CH3:45])[cH:42][cH:43]2)[cH:11][cH:12]1)[OH:48]