HRID1140887

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

3 次

HCID1118

Sulfuric acid

H2O4S

HCID3776

Isopropanol

C3H8O

HCID31348

Citrate

C6H5O7-3

HCID98840

4-Hydroxyphencyclidine

C17H25NO

PRODUCTS

生成物

HCID425091

1-(1-Phenylcyclohexyl)piperidin-4-one

C17H23NO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62f1d5f560474b15a67b7aa955cc74bf
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

[CH3:20][CH:21]([OH:22])[CH3:23].[CH3:43][C:44](=[O:45])[OH:46].[Na+:26].[Na+:27].[Na+:28].[OH2:24].[OH2:25].[OH2:42].[OH:29][C:30]([C:31](=[O:32])[O-:33])([CH2:34][C:35](=[O:36])[O-:37])[CH2:38][C:39](=[O:40])[O-:41].[S:47](=[O:48])(=[O:49])([OH:50])[OH:51].[c:1]1([C:7]2([N:13]3[CH2:14][CH2:15][CH:16]([OH:19])[CH2:17][CH2:18]3)[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]2([N:13]3[CH2:14][CH2:15][C:16](=[O:19])[CH2:17][CH2:18]3)[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1