Sodium Ion → Methyl 3-(3-bromo-4-hydroxyphenyl)propanoate

Reaction equation

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

Participants

Reactant 5

HCID 923Sodium Ion

HCID 6342Acetonitrile

HCID 61778Sulfate, hydrogen

HCID 67184N-bromobutanimide

HCID 79706Benzenepropanoic acid, 4-hydroxy-, methyl ester

Product 1

HCID 22558720Methyl 3-(3-bromo-4-hydroxyphenyl)propanoate

Sources & evidence

ORD record: ord-165f38ee8b994ac7bd7660d053ab1d36
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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