HRID214623

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID22770

3,4-Dimethoxyaniline

C8H11NO2

HCID10596994

未命名化合物

PRODUCTS

产物

HCID11684253

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5a330bca9f794ed4a82d8eafe33f5842
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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