HRID685001

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID73768

1-Isocyanato-4-(trifluoromethyl)benzene

C8H4F3NO

HCID67423133

未命名化合物

PRODUCTS

产物

HCID67424088

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-bcad5d71a072435cafd4d7185755fd86
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

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