HRID118314

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID571846

4-(Trifluoromethoxy)benzylamine

C8H8F3NO

HCID16038825

未命名化合物

PRODUCTS

产物

HCID16038902

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1b94ae5d771d4d249a594747efa0ba3e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[Cl:1][C:2]([C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[n:14]1[CH2:13][c:12]1[c:11]([cH:18][cH:17][cH:16][cH:15]1)[N:10]([C:19](=[O:20])[c:21]1[cH:22][c:23]([O:34][CH3:35])[c:24](-[c:27]3[c:28]([CH3:33])[cH:29][cH:30][cH:31][cH:32]3)[cH:25][cH:26]1)[CH2:9]2)([Cl:36])[Cl:37].[F:38][C:39]([O:40][c:41]1[cH:42][cH:43][c:44]([CH2:45][NH2:46])[cH:47][cH:48]1)([F:49])[F:50]>>[C:3](=[O:4])([c:5]1[cH:6][cH:7][c:8]2[n:14]1[CH2:13][c:12]1[c:11]([cH:18][cH:17][cH:16][cH:15]1)[N:10]([C:19](=[O:20])[c:21]1[cH:22][c:23]([O:34][CH3:35])[c:24](-[c:27]3[c:28]([CH3:33])[cH:29][cH:30][cH:31][cH:32]3)[cH:25][cH:26]1)[CH2:9]2)[NH:46][CH2:45][c:44]1[cH:43][cH:42][c:41]([O:40][C:39]([F:38])([F:49])[F:50])[cH:48][cH:47]1