Acetic Acid → (3-Bromo-2,5-dimethoxy-phenyl)-acetic acid

Reaction equation

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

Participants

Reactant 4

HCID 176Acetic Acid

HCID 962Water

HCID 1118Sulfuric Acid

HCID 10149238(3-Bromo-2,5-dimethoxy-phenyl)-acetonitrile

Product 1

HCID 10125382(3-Bromo-2,5-dimethoxy-phenyl)-acetic acid

Sources & evidence

ORD record: ord-a99d110f2a7f42e8a64f0d3f1882c8fd
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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