Acetic Acid → 3-Mercapto-2-(4-methoxy-benzylamino)-propionic acid

HRID 113517

Reaction equation

HRID 113517 reaction equation
[BH4-:1].[CH3:21][C:22](=[O:23])[OH:24].[CH3:5][O:6][c:7]1[cH:8][cH:9][c:10]([CH:13]2[S:14][CH2:15][CH:16]([C:18](=[O:19])[OH:20])[NH:17]2)[cH:11][cH:12]1.[K+:25].[K+:26].[Na+:2].[Na+:4].[O-:27][C:28]([O-:29])=[O:30].[OH-:3]>>[CH3:5][O:6][c:7]1[cH:8][cH:9][c:10]([CH2:13][NH:17][CH:16]([CH2:15][SH:14])[C:18](=[O:19])[OH:20])[cH:11][cH:12]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 813Potassium Cation2×HCID 923Sodium ion2×HCID 961HydroxideHCID 19660Carbonate IonHCID 28123BorohydrideHCID 28277282-(4-Methoxy-phenyl)-thiazolidine-4-carboxylic acid

Product 1

HCID 110210473-Mercapto-2-(4-methoxy-benzylamino)-propionic acid

Sources & evidence

ORD record
ord-93618d4a8a6c4c4689436407c5f43687
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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