HRID211146

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID2757398

2-Chlorobenzoyl isothiocyanate

C8H4ClNOS

HCID11221223

未命名化合物

PRODUCTS

产物

HCID21890700

N-(2-Chlorobenzoyl)-N'-{2-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl}thiourea

C25H19Cl2N3O4S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b0122291e00d485b8d579ac617d3da54
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

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