HRID309770

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID44207288

1-[5-(3,4-Dichlorophenyl)-4-hydroxythiophen-3-yl]ethan-1-one

C12H8Cl2O2S

HCID57688094

2-Chloro-4-(hydrazinecarbonyl)-N-(2-hydroxyethyl)benzamide

C10H12ClN3O3

PRODUCTS

生成物

结构：CC(=NNC(=O)c1ccc(C(=O)NCCO)c(Cl)c1)c1csc(-c2ccc(Cl)c(Cl)c2)c1O

HCID76593466

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1894acfb992a4c90b904b8cc5a3e63d0
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

[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[Cl:18][c:19]1[c:20]([C:21](=[O:22])[NH:23][CH2:24][CH2:25][OH:26])[cH:27][cH:28][c:29]([C:31](=[O:32])[NH:33][NH2:34])[cH:30]1.[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[s:10][cH:11][c:12]([C:15](=[O:16])[CH3:17])[c:13]2[OH:14])[cH:5][cH:6][c:7]1[Cl:8].[ClH:35].[OH2:36]>>[Cl:1][c:2]1[cH:3][c:4](-[c:9]2[s:10][cH:11][c:12]([C:15]([CH3:17])=[N:34][NH:33][C:31]([c:29]3[cH:28][cH:27][c:20]([C:21](=[O:22])[NH:23][CH2:24][CH2:25][OH:26])[c:19]([Cl:18])[cH:30]3)=[O:32])[c:13]2[OH:14])[cH:5][cH:6][c:7]1[Cl:8]