Acetic Acid → 3-hydroxy-6-methyl-2-(2,2,2-trifluoro-1-hydroxy-ethyl)-1H-pyridin-4-one

Reaction equation

[C:11](=[O:12])([O-:13])[O-:14].[CH3:29][C:30](=[O:31])[OH:32].[ClH:1].[F:20][C:21]([CH:22]([OH:23])[O:24][CH3:25])([F:26])[F:27].[K+:15].[K+:16].[O:17]=[C:18]=[O:19].[OH2:28].[OH:2][c:3]1[c:4](=[O:10])[cH:5][c:6]([CH3:9])[nH:7][cH:8]1>>[OH:2][c:3]1[c:4](=[O:10])[cH:5][c:6]([CH3:9])[nH:7][c:8]1[CH:22]([C:21]([F:20])([F:26])[F:27])[OH:23]

Participants

Reactant 8

HCID 176Acetic Acid

HCID 280Carbon Dioxide

HCID 313Hydrochloric Acid

HCID 813Potassium Cation2×

HCID 962Water

HCID 98922,2,2-Trifluoro-1-methoxyethanol

HCID 19660Carbonate Ion

HCID 6426495-hydroxy-2-methylpyridin-4(1H)-one

Product 1

HCID 250186523-hydroxy-6-methyl-2-(2,2,2-trifluoro-1-hydroxy-ethyl)-1H-pyridin-4-one

Sources & evidence

ORD record: ord-5b6336358c81480a8e361724db48f62a
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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