Acetone → Methyl 5-bromo-2,4-dimethoxybenzoate

HRID 166592

Reaction equation

HRID 166592 reaction equation
[Br-:21].[BrH:16].[CH3:22][C:23](=[O:24])[CH3:25].[N:17]([O-:18])=[O:19].[NH2:1][c:2]1[c:3]([O:14][CH3:15])[cH:4][c:5]([O:12][CH3:13])[c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11]1.[Na+:20].[OH2:26]>>[c:2]1([Br:16])[c:3]([O:14][CH3:15])[cH:4][c:5]([O:12][CH3:13])[c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 259Bromide ionHCID 260Hydrogen BromideHCID 923Sodium ionHCID 946NitriteHCID 962WaterHCID 16638096Methyl 5-amino-2,4-dimethoxybenzoate

Product 1

HCID 3859236Methyl 5-bromo-2,4-dimethoxybenzoate

Sources & evidence

ORD record
ord-e64675cec1454cf6b8d764bca04b9e27
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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