HRID1122011

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID66645

2,4-Dichlorobenzoyl chloride

C7H3Cl3O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)C(Cc1ccccc1)NCc1sccc1Br

HCID20779313

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(Cc1ccccc1)N(Cc1sccc1Br)C(=O)c1ccc(Cl)cc1Cl

HCID20779312

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d2709ad2c3d4721acf8d2fac00bcf2d
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]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[NH:15][CH2:16][c:17]1[s:18][cH:19][cH:20][c:21]1[Br:22])=[O:23].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:24][c:25]1[c:26]([C:27](=[O:28])[Cl:29])[cH:30][cH:31][c:32]([Cl:34])[cH:33]1.[Cl:35][CH2:36][Cl:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH:7]([CH2:8][c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[N:15]([CH2:16][c:17]1[s:18][cH:19][cH:20][c:21]1[Br:22])[C:27]([c:26]1[c:25]([Cl:24])[cH:33][c:32]([Cl:34])[cH:31][cH:30]1)=[O:28])=[O:23]