HRID99824

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID19660

Carbonate

CO3-2

HCID70777

4'-Mercaptoacetanilide

C8H9NOS

HCID20282243

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1ccc(SC(CCc2ccc(Cl)cc2)Cn2ccnc2)cc1

HCID13457328

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8d32d8044cc46cfb5e2ab1286e7d887
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

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