HRID679187

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID80206

1-Phenylcyclopropanecarboxylic acid

C10H10O2

HCID81531

Diisopropylethylamine

C8H19N

HCID134912

2-(1,3-Thiazol-4-yl)-1H-benzimidazol-6-amine

C10H8N4S

PRODUCTS

生成物

结构：O=C(Nc1ccc2[nH]c(-c3cscn3)nc2c1)C1(c2ccccc2)CC1

HCID178521817

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-204efc17a23e4ba2a76f2b8c2e640632
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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