Butanoic acid, 2-hydroxy-3,3-dimethyl- → 3-{4-[2-(2-Hydroxy-3,3-dimethyl-butyrylamino)-propionylamino]-imidazol-1-yl}-3-methyl-butyric acid methyl ester

HRID 201214

Reaction equation

HRID 201214 reaction equation
[CH3:1][O:2][C:3]([CH2:4][C:5]([CH3:6])([CH3:7])[n:8]1[cH:9][n:10][c:11]([NH:13][C:14]([CH:15]([CH3:16])[NH2:17])=[O:18])[cH:12]1)=[O:19].[OH:20][CH:21]([C:22](=[O:23])[OH:24])[C:25]([CH3:26])([CH3:27])[CH3:28]>>[CH3:1][O:2][C:3]([CH2:4][C:5]([CH3:6])([CH3:7])[n:8]1[cH:9][n:10][c:11]([NH:13][C:14]([CH:15]([CH3:16])[NH:17][C:22]([CH:21]([OH:20])[C:25]([CH3:26])([CH3:27])[CH3:28])=[O:23])=[O:18])[cH:12]1)=[O:19]

Participants

3

Reactant 2

HCID 107211Butanoic acid, 2-hydroxy-3,3-dimethyl-HCID 671649443-[4-(2-Amino-propionylamino)-imidazol-1-yl]-3-methyl-butyric acid methyl ester

Product 1

HCID 252063403-{4-[2-(2-Hydroxy-3,3-dimethyl-butyrylamino)-propionylamino]-imidazol-1-yl}-3-methyl-butyric acid methyl ester

Sources & evidence

ORD record
ord-ca33ef89fd1548ea9b15be92097beb22
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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