Acetic Acid → 2-Bromo-1-(3-pyridyl)-1-butanone

HRID 115380

Reaction equation

HRID 115380 reaction equation
[Br:12].[BrH:26].[C:20](=[O:21])([O-:22])[O-:23].[CH3:27][C:28](=[O:29])[OH:30].[K+:24].[K+:25].[Na+:18].[Na+:19].[S:13]([O-:14])([O-:15])(=[O:16])=[S:17].[n:1]1[cH:2][c:3]([C:7]([CH2:8][CH2:9][CH3:10])=[O:11])[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3]([C:7]([CH:8]([CH2:9][CH3:10])[Br:26])=[O:11])[cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 260Hydrogen Bromide2×HCID 813Potassium Cation2×HCID 923Sodium ion2×HCID 1084Thiosulfate ionHCID 19660Carbonate IonHCID 4595021-(Pyridin-3-yl)butan-1-one

Product 1

HCID 865932012-Bromo-1-(3-pyridyl)-1-butanone

Sources & evidence

ORD record
ord-1594ee9dc6544f40b08fb9def475b501
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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