HRID183310

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID1140

Toluene

C7H8

HCID232162

4-chlorobenzoyl isothiocyanate

C8H4ClNOS

HCID11221223

未命名化合物

PRODUCTS

产物

HCID21891158

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9244eeab68a5428f82a55b3ff4955994
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

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