Acetic Acid → HCID 20145007, compound

Reaction equation

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

Participants

Reactant 4

HCID 176Acetic Acid2×

HCID 260Hydrogen Bromide

HCID 962Water

HCID 20144987HCID 20144987, compound

Product 1

HCID 20145007HCID 20145007, compound

Sources & evidence

ORD record: ord-d96d8dbce5b444c0851ece7d5e1b66ec
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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