HRID120554

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID2063868

2-Methylphenethylamine

C9H13N

HCID5327160

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1CCNC(=O)c1ccc2nc(-c3c(Cl)cccc3Cl)oc2c1

HCID25109247

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5b407cf4d9e4b4296c046f5e67ba6b2
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

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