Bicarbonate Ion → Methyl 2-[(4-amino-2-phenyl-benzoyl)amino]-4-methylsulfanyl-butanoate

Reaction equation

[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8](-[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:9][c:10]([N+:13]([O-:14])=[O:15])[cH:11][cH:12]1)=[O:22])[CH2:23][CH2:24][S:25][CH3:26])=[O:27].[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[Na+:32].[O-:28][C:29]([OH:30])=[O:31]>>[CH3:1][O:2][C:3]([CH:4]([NH:5][C:6]([c:7]1[c:8](-[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[cH:9][c:10]([NH2:13])[cH:11][cH:12]1)=[O:22])[CH2:23][CH2:24][S:25][CH3:26])=[O:27]

Participants

Reactant 4

HCID 769Bicarbonate Ion

HCID 923Sodium Ion

HCID 8857Ethyl Acetate

HCID 22986157Methyl 4-methylsulfanyl-2-[(4-nitro-2-phenylbenzoyl)amino]butanoate

Product 1

HCID 23436016Methyl 2-[(4-amino-2-phenyl-benzoyl)amino]-4-methylsulfanyl-butanoate

Sources & evidence

ORD record: ord-6bc1c460a40e4d75b84b35b2a1a79e81
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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