HRID1138279

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID73768

1-Isocyanato-4-(trifluoromethyl)benzene

C8H4F3NO

结构：CCOC(=O)C(=Cc1ccc(-c2cccc(NC)c2)cc1)OCC

HCID90765443

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(=Cc1ccc(-c2cccc(N(C)C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1)OCC

HCID91531383

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94a86b933486466ea3562c5dbce7118f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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