Acetic Acid → (3-Acetyl-5-bromo-4-hydroxy-phenyl)-acetic acid

HRID 1220297Notes

Reaction equation

HRID 1220297 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6]([CH2:12][C:13]#[N:14])[cH:7][c:8]([Br:11])[c:9]1[OH:10].[CH3:21][C:22]([OH:23])=[O:24].[OH2:20].[S:15](=[O:16])(=[O:17])([OH:18])[OH:19]>>[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6]([CH2:21][C:22]([OH:23])=[O:24])[cH:7][c:8]([Br:11])[c:9]1[OH:10]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 1118Sulfuric AcidHCID 22556946(3-Acetyl-5-bromo-4-hydroxy-phenyl)-acetonitrile

Product 1

HCID 22556967(3-Acetyl-5-bromo-4-hydroxy-phenyl)-acetic acid

Sources & evidence

ORD record
ord-d1e7248d60ed411bb338f9f4fa955c07
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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