Acetic Acid → 1-(1-Phenylcyclohexyl)piperidin-4-one

HRID 1140887Notes

Reaction equation

HRID 1140887 reaction equation
[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

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ion3×HCID 962Water3×HCID 1118Sulfuric AcidHCID 3776IsopropanolHCID 31348CitrateHCID 988401-(1-Phenylcyclohexyl)-4-hydroxypiperidine

Product 1

HCID 4250911-(1-Phenylcyclohexyl)piperidin-4-one

Sources & evidence

ORD record
ord-62f1d5f560474b15a67b7aa955cc74bf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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