HRID294624

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID76447

2-(Trifluoromethyl)benzylamine

C8H8F3N

HCID85841201

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCCCCOc1ccc(CNCc2ccccc2C(F)(F)F)c2ccccc12

HCID67187285

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b776e06a3df743b7be349d5c8cced28e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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