HRID89625

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID4296

1-[3-(Trifluoromethyl)phenyl]-piperazine

C11H13F3N2

HCID19428161

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC)c2c(C)c(CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)oc2c1

HCID19428167

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97dea1b21c704149b420aa4f4fbb2875
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

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