Ammonium → 1-Chloro-2-(2,4-difluorophenyl)-3-pivaloyloxybutan-2-ol

HRID 92090Notes

Reaction equation

HRID 92090 reaction equation
[Br-:1].[CH3:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[Cl-:24].[Cl:11][CH2:12][C:13]([CH:14]([CH3:15])[O:16][C:17]([C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])=[O:23].[F:2][c:3]1[c:4]([Mg+:10])[cH:5][cH:6][c:7]([F:9])[cH:8]1.[NH4+:25].[OH2:26]>>[F:2][c:3]1[c:4]([C:13]([CH2:12][Cl:11])([CH:14]([CH3:15])[O:16][C:17]([C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])[OH:23])[cH:5][cH:6][c:7]([F:9])[cH:8]1

Participants

8

Reactant 7

HCID 223AmmoniumHCID 259Bromide ionHCID 312ChlorideHCID 962WaterHCID 1140TolueneHCID 23117049(4-Chloro-3-oxobutan-2-yl) 2,2-dimethylpropanoateHCID 178505843HCID 178505843, compound

Product 1

HCID 231170411-Chloro-2-(2,4-difluorophenyl)-3-pivaloyloxybutan-2-ol

Sources & evidence

ORD record
ord-e4d54984030d41da8c90f9b16c75c388
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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