Alpha-Aminobutyric Acid → 2-(5-Bromo-2-nitroanilino)butanoic acid

HRID 677121

Reaction equation

HRID 677121 reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:11])[c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1.[F:19][c:20]1[cH:21][cH:22][c:23]([NH:24][CH:25]([CH2:26][CH3:27])[C:28]([OH:29])=[O:30])[c:31]([N+:32]([O-:33])=[O:34])[cH:35]1.[NH2:12][CH:13]([C:14](=[O:15])[OH:16])[CH2:17][CH3:18]>>[Br:1][c:2]1[cH:3][c:4]([NH:12][CH:13]([C:14](=[O:15])[OH:16])[CH2:17][CH3:18])[c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 6657Alpha-Aminobutyric AcidHCID 27833624-Bromo-2-fluoro-1-nitrobenzeneHCID 197943402-(4-Fluoro-2-nitrophenylamino)butanoic acid

Product 1

HCID 653415702-(5-Bromo-2-nitroanilino)butanoic acid

Sources & evidence

ORD record
ord-332f5c33530c4df3b66dfcbaabceb043
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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