HRID1206574

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID20453302

4-Amino-4-phenylcyclohexan-1-one

C12H15NO

结构：C=CCC(C)(C(=O)O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID86594174

未命名化合物

PRODUCTS

生成物

结构：C=CCC(C)(C(=O)NC1(c2ccccc2)CCC(=O)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID86594177

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3e8691e0e3646529211d2f3c200bd98
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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