2-Amino-3-hydroxybutanoic acid → 2-[4-Cyano-3-(trifluoromethyl)anilino]-3-hydroxybutanoic acid

HRID 98247

Reaction equation

[CH3:28][S:29]([CH3:30])=[O:31].[F:15][c:16]1[cH:17][c:18]([C:24]([F:25])([F:26])[F:27])[c:19]([C:20]#[N:21])[cH:22][cH:23]1.[K+:10].[K+:9].[NH2:1][CH:2]([CH:3]([OH:4])[CH3:5])[C:6](=[O:7])[OH:8].[O-:11][C:12]([O-:13])=[O:14]>>[NH:1]([CH:2]([CH:3]([OH:4])[CH3:5])[C:6](=[O:7])[OH:8])[c:16]1[cH:17][c:18]([C:24]([F:25])([F:26])[F:27])[c:19]([C:20]#[N:21])[cH:22][cH:23]1

Participants

Reactant 5

HCID 2052-Amino-3-hydroxybutanoic acid

HCID 679Dimethyl Sulfoxide

HCID 813Potassium Cation2×

HCID 19660Carbonate Ion

HCID 6050854-Fluoro-2-(trifluoromethyl)benzonitrile

Product 1

HCID 669809272-[4-Cyano-3-(trifluoromethyl)anilino]-3-hydroxybutanoic acid

Sources & evidence

ORD record: ord-88f25fdab42046b3ab961f0ca3dfdc20
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Linked notes

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