HRID206832

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID735863

2-Chloro-4-(methylsulfonyl)benzoic acid

C8H7ClO4S

HCID22660085

未命名化合物

PRODUCTS

产物

HCID21999307

Methyl 2-[(2-chloro-4-methylsulfonylbenzoyl)amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate

C25H21Cl3N2O6S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6af70a8c55074dc6a92fc5d497805e76
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[CH3:1][O:2][C:3]([CH:4]([NH2:5])[CH2:6][c:7]1[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[c:16]2[c:17]([Cl:23])[cH:18][cH:19][cH:20][c:21]2[Cl:22])[cH:11][cH:12]1)=[O:24].[Cl:25][c:26]1[c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32][c:33]([S:35](=[O:36])(=[O:37])[CH3:38])[cH:34]1>>[CH3:1][O:2][C:3]([CH:4]([NH:5][C:28]([c:27]1[c:26]([Cl:25])[cH:34][c:33]([S:35](=[O:36])(=[O:37])[CH3:38])[cH:32][cH:31]1)=[O:29])[CH2:6][c:7]1[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[c:16]2[c:17]([Cl:23])[cH:18][cH:19][cH:20][c:21]2[Cl:22])[cH:11][cH:12]1)=[O:24]