HRID320104

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID68579823

4-Bromo-5-ethyl-1H-pyrrole-2-carboxylic acid

C7H8BrNO2

HCID86608256

未命名化合物

PRODUCTS

生成物

结构：CCc1[nH]c(C(=O)NC2CCN(c3cc(C(N)=O)cc(Cl)n3)CC2)cc1Br

HCID86608271

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75118d5a822c4a69b25607e8de80b27c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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