Acetone → 3-((3,5-Bis(trifluoromethyl)benzyloxy)methyl)-3-phenylcyclohexanone

HRID 205690Notes

Reaction equation

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

Participants

Reactant 6

HCID 180Acetone

HCID 313Hydrochloric Acid

HCID 769Bicarbonate Ion

HCID 923Sodium ion

HCID 6344Dichloromethane

HCID 219731201-(((3,3-Ethylenedioxy-1-phenylcyclohexyl)methoxy)methyl)-3,5-bis(trifluoromethyl)benzene

Product 1

HCID 219731213-((3,5-Bis(trifluoromethyl)benzyloxy)methyl)-3-phenylcyclohexanone

Sources & evidence

ORD record: ord-358959ecefc84d7ea0ba9bb50a5fddcf
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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