HRID668684

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID11167

Methyl isothiocyanate

C2H3NS

HCID18917210

未命名化合物

PRODUCTS

产物

HCID22071631

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5b8d8426a0154b2a8bdf56c67ca63bb0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

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