1-Butanol → 2,2-Dimethyl-4-{4'-[(5-nitro-1,3-thiazol-2-yl)amino]-1,1'-biphenyl-4-yl}-4-oxobutanoic acid

HRID 185828

Reaction equation

HRID 185828 reaction equation
[Br:23][c:24]1[s:25][c:26]([N+:29](=[O:30])[O-:31])[cH:27][n:28]1.[CH2:32]([OH:33])[CH2:34][CH2:35][CH3:36].[NH2:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14]([CH2:15][C:16]([C:17](=[O:18])[OH:19])([CH3:20])[CH3:21])=[O:22])[cH:12][cH:13]2)[cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([C:14]([CH2:15][C:16]([C:17](=[O:18])[OH:19])([CH3:20])[CH3:21])=[O:22])[cH:12][cH:13]2)[cH:6][cH:7]1)[c:24]1[s:25][c:26]([N+:29](=[O:30])[O-:31])[cH:27][n:28]1

Participants

4

Reactant 3

HCID 2631-ButanolHCID 182112-Bromo-5-nitrothiazoleHCID 219856934-[4-(4-Aminophenyl)phenyl]-2,2-dimethyl-4-oxobutanoic acid

Product 1

HCID 116690542,2-Dimethyl-4-{4'-[(5-nitro-1,3-thiazol-2-yl)amino]-1,1'-biphenyl-4-yl}-4-oxobutanoic acid

Sources & evidence

ORD record
ord-51214eeee0f5437e9649e8778a23b2fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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