Acetonitrile → 5-Bromo-2-ethoxybenzoic acid

HRID 170198

Reaction equation

HRID 170198 reaction equation
[Br:13][N:14]1[C:15](=[O:16])[CH2:17][CH2:18][C:19]1=[O:20].[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10][cH:11][cH:12]1.[CH3:21][C:22]#[N:23]>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([C:6](=[O:7])[OH:8])[cH:9][c:10]([Br:13])[cH:11][cH:12]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 67184N-bromobutanimideHCID 672522-Ethoxybenzoic acid

Product 1

HCID 52099205-Bromo-2-ethoxybenzoic acid

Sources & evidence

ORD record
ord-8e45264d229a42e384e76fc722902673
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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