Hydrochloric Acid → 1-Cyclohexyl-4,4,4-trifluoro-butane-1,3-dione

HRID 2338772Notes

Reaction equation

HRID 2338772 reaction equation
[CH3:19][O-:20].[CH3:23][O:24][CH2:25][CH2:26][O:27][CH3:28].[CH3:30][CH2:31][O:32][C:33]([CH3:34])=[O:35].[CH:1]1([C:7](=[O:8])[CH3:9])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[ClH:22].[F:10][C:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])([F:17])[F:18].[Na+:21].[OH2:29]>>[CH:1]1([C:7](=[O:8])[CH2:9][C:12]([C:11]([F:10])([F:17])[F:18])=[O:13])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 9794Ethyl trifluoroacetateHCID 13207Cyclohexyl methyl ketoneHCID 3826051Methoxide

Product 1

HCID 110314321-Cyclohexyl-4,4,4-trifluoro-butane-1,3-dione

Sources & evidence

ORD record
ord-83c01d97f2504e34a79c4c71a744fca2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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