HRID2161171

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID67430

4-Chlorophenethylamine

C8H10ClN

HCID81531

Diisopropylethylamine

C8H19N

HCID82131

4-Bromo-3-methylbenzoic acid

C8H7BrO2

PRODUCTS

生成物

HCID67080900

4-Bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzamide

C16H15BrClNO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c62ff24803ed4ccb87b0f1558e28e431
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[c:3]([CH3:11])[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[C:12]([Cl:13])(=[O:14])[C:15]([Cl:16])=[O:17].[CH2:18]([N:19]([CH:20]([CH3:21])[CH3:22])[CH:23]([CH3:24])[CH3:25])[CH3:26].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[Cl:27][c:28]1[cH:29][cH:30][c:31]([CH2:34][CH2:35][NH2:36])[cH:32][cH:33]1.[Cl:37][CH2:38][Cl:39].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[Br:1][c:2]1[c:3]([CH3:11])[cH:4][c:5]([C:6](=[O:8])[NH:36][CH2:35][CH2:34][c:31]2[cH:30][cH:29][c:28]([Cl:27])[cH:33][cH:32]2)[cH:9][cH:10]1