2-Amino-3-hydroxybutanoic acid → 2-(3-Chloro-4-cyanoanilino)-3-hydroxybutanoic acid

HRID 676539

Reaction equation

HRID 676539 reaction equation
[CH3:25][S:26]([CH3:27])=[O:28].[Cl:15][c:16]1[c:17]([C:18]#[N:19])[cH:20][cH:21][c:22]([F:24])[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:22]1[cH:21][cH:20][c:17]([C:18]#[N:19])[c:16]([Cl:15])[cH:23]1

Participants

6

Reactant 5

HCID 2052-Amino-3-hydroxybutanoic acidHCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 1090002-Chloro-4-fluorobenzonitrile

Product 1

HCID 669809582-(3-Chloro-4-cyanoanilino)-3-hydroxybutanoic acid

Sources & evidence

ORD record
ord-64c1b33cb3e549ee95eae164f7adb026
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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