Ethanol → 2',4'-Difluoro-2-hydroxypropiophenone

HRID 687619Notes

Reaction equation

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

Participants

Reactant 4

HCID 702Ethanol

HCID 85570p-Toluenesulfonate

HCID 4989215Pyridinium

HCID 108693411-Propanone, 1-(2,4-difluorophenyl)-2-[(tetrahydro-2H-pyran-2-YL)oxy]-,(2R)-

Product 1

HCID 118301282',4'-Difluoro-2-hydroxypropiophenone

Sources & evidence

ORD record: ord-09963200b4284348a539a489376d1bc3
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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