Acetic Acid → HCID 69892287, compound

Reaction equation

[BrH:27].[CH3:29][C:30](=[O:31])[OH:32].[CH:1]1([C:4]([OH:5])([c:6]2[cH:7][c:8]([O:12][CH3:13])[cH:9][cH:10][cH:11]2)[c:14]2[cH:15][cH:16][c:17]([C:20]([N:21]([CH2:22][CH3:23])[CH2:24][CH3:25])=[O:26])[cH:18][cH:19]2)[CH2:2][CH2:3]1.[OH2:28]>>[CH:1]([CH2:2][CH2:3][Br:27])=[C:4]([c:6]1[cH:7][c:8]([O:12][CH3:13])[cH:9][cH:10][cH:11]1)[c:14]1[cH:15][cH:16][c:17]([C:20]([N:21]([CH2:22][CH3:23])[CH2:24][CH3:25])=[O:26])[cH:18][cH:19]1

Participants

Reactant 4

HCID 176Acetic Acid

HCID 260Hydrogen Bromide

HCID 962Water

HCID 22671451HCID 22671451, compound

Product 1

HCID 69892287HCID 69892287, compound

Sources & evidence

ORD record: ord-8722d577dac941ddb4abdf557256b51d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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