HRID1203228

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID78392

2,6-Dichlorobenzoyl chloride

C7H3Cl3O

HCID81531

Diisopropylethylamine

C8H19N

结构：COC(=O)C(Cc1ccc(N)cc1)NC(=O)OC(C)(C)C

HCID22227788

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)NC(=O)OC(C)(C)C

HCID22660168

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5d4e1eba2ab480c81b282638214339d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[CH2:13][c:14]1[cH:15][cH:16][c:17]([NH2:20])[cH:18][cH:19]1)=[O:21].[CH:22]([N:23]([CH:24]([CH3:25])[CH3:26])[CH2:27][CH3:28])([CH3:29])[CH3:30].[Cl:31][c:32]1[c:33]([C:34](=[O:35])[Cl:36])[c:37]([Cl:41])[cH:38][cH:39][cH:40]1.[Cl:42][CH2:43][Cl:44].[OH2:45]>>[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[CH2:13][c:14]1[cH:15][cH:16][c:17]([NH:20][C:34]([c:33]2[c:32]([Cl:31])[cH:40][cH:39][cH:38][c:37]2[Cl:41])=[O:35])[cH:18][cH:19]1)=[O:21]