proline dl-form → 1-(2-Methyl-3-sulfanylpropanoyl)proline

HRID 110109

Reaction equation

HRID 110109 reaction equation
[C:29](=[O:30])([CH3:31])[S:32][CH2:33][CH:34]([C:35](=[O:36])[N:37]1[CH:38]([C:39](=[O:40])[OH:41])[CH2:42][CH2:43][CH2:44]1)[CH3:45].[C:9]([S:10][CH2:11][CH:12]([CH3:13])[C:14]([Cl:15])=[O:16])(=[O:17])[CH3:18].[K+:20].[K+:26].[K+:27].[K+:28].[Na+:47].[OH-:19].[OH-:46].[OH:1][C:2]([CH:3]1[NH:4][CH2:5][CH2:6][CH2:7]1)=[O:8].[P:21]([O-:22])([O-:23])([O-:24])=[O:25]>>[SH:32][CH2:33][CH:34]([C:35](=[O:36])[N:37]1[CH:38]([C:39](=[O:40])[OH:41])[CH2:42][CH2:43][CH2:44]1)[CH3:45]

Participants

8

Reactant 7

HCID 614proline dl-formHCID 813Potassium Cation4×HCID 923Sodium ionHCID 961Hydroxide2×HCID 1061PhosphateHCID 103458Ethanethioic acid, S-(3-chloro-2-methyl-3-oxopropyl) esterHCID 3085301(2S)-1-[(2S)-3-acetylsulfanyl-2-methylpropanoyl]pyrrolidine-2-carboxylic acid

Product 1

HCID 25501-(2-Methyl-3-sulfanylpropanoyl)proline

Sources & evidence

ORD record
ord-22c4f75d309849ad890bbfbfb101a653
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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