HRID94521

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22281413

1-(3,3,3-Trifluoropropyl)piperazine

C7H13F3N2

HCID76588499

未命名化合物

PRODUCTS

产物

HCID178466430

[2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazol-1-yl]-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]methanone

C36H42Cl2F3N5O2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d579fa3981284975b42cbd7f724b6f76
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

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