HRID1239214

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7515

N-Methylaniline

C7H9N

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：CC(C(=O)O)n1c(-c2ccc(Cl)cc2)nc2cccnc21

HCID14390426

未命名化合物

PRODUCTS

生成物

结构：CC(C(=O)N(C)c1ccccc1)n1c(-c2ccc(Cl)cc2)nc2cccnc21

HCID178460123

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fff6fb409c974f0e9c0f49f3f8b5e612
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:28][NH:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[Cl:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[n:15][c:16]3[c:17]([n:18][cH:19][cH:20][cH:21]3)[n:22]2[CH:23]([C:24](=[O:25])[OH:26])[CH3:27])[cH:12][cH:13]1.[OH2:36]>>[Cl:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[n:15][c:16]3[c:17]([n:18][cH:19][cH:20][cH:21]3)[n:22]2[CH:23]([C:24](=[O:26])[N:29]([CH3:28])[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH3:27])[cH:12][cH:13]1