HRID97493

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID33127

5-Bromo-2-chlorobenzoic acid

C7H4BrClO2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID86625

Tricyclo(3.3.1.13,7)dec-1-ylmethylamine

C11H19N

PRODUCTS

生成物

结构：O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(Br)ccc1Cl

HCID7921308

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b76d8c48d8034960b56e811fd80eff2c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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