HRID2337089

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7412

Benzoyl chloride

C7H5ClO

HCID81531

Diisopropylethylamine

C8H19N

结构：COC(=O)c1ccc2c(c1)CC(C)(C)C(c1cc(N)cc(Cl)c1)N2

HCID67442785

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(c1)CC(C)(C)C(c1cc(Cl)cc(NC(=O)c3ccccc3)c1)N2

HCID67440903

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-676df46961f54217bb2dd39f7ccdf294
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:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)(=[O:41])[Cl:42].[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[Cl:43][CH2:44][Cl:45].[NH2:1][c:2]1[cH:3][c:4]([CH:9]2[NH:10][c:11]3[cH:12][cH:13][c:14]([C:21](=[O:22])[O:23][CH3:24])[cH:15][c:16]3[CH2:17][C:18]2([CH3:19])[CH3:20])[cH:5][c:6]([Cl:8])[cH:7]1>>[NH:1]([c:2]1[cH:3][c:4]([CH:9]2[NH:10][c:11]3[cH:12][cH:13][c:14]([C:21](=[O:22])[O:23][CH3:24])[cH:15][c:16]3[CH2:17][C:18]2([CH3:19])[CH3:20])[cH:5][c:6]([Cl:8])[cH:7]1)[C:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)=[O:41]