HRID1144375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2782449

1-(4-Trifluoromethylphenyl)ethylamine

C9H10F3N

HCID86598531

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCCCc1noc(-c2ccc(CNC(C)c3ccc(C(F)(F)F)cc3)cc2)n1

HCID67188316

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01b93dd861c64a8abc8e8a50665363aa
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]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH3:11])[c:12]1[n:13][o:14][c:15](-[c:17]2[cH:18][cH:19][c:20]([CH:21]=[O:22])[cH:23][cH:24]2)[n:16]1.[F:25][C:26]([c:27]1[cH:28][cH:29][c:30]([CH:33]([CH3:34])[NH2:35])[cH:31][cH:32]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][CH3:11])[c:12]1[n:13][o:14][c:15](-[c:17]2[cH:18][cH:19][c:20]([CH2:21][NH:35][CH:33]([c:30]3[cH:29][cH:28][c:27]([C:26]([F:25])([F:36])[F:37])[cH:32][cH:31]3)[CH3:34])[cH:23][cH:24]2)[n:16]1