HRID169880

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID7892

2-Methylpentane

C6H14

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

HCID11522058

未命名化合物

HCID20453302

4-Amino-4-phenylcyclohexan-1-one

C12H15NO

PRODUCTS

生成物

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

HCID21955177

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e95b587867ae4331a5465667d67d78c3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][CH: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.[CH3:35][CH2:36][CH2:37][CH:38]([CH3:39])[CH3:40].[CH3:41][CH2:42][OH:43].[ClH:20].[O:21]=[C:22]1[CH2:23][CH2:24][C:25]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)([NH2:34])[CH2:26][CH2:27]1>>[CH3:1][CH:2]([C:3](=[O:4])[NH:34][C:25]1([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH2:24][CH2:23][C:22](=[O:21])[CH2:27][CH2:26]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