Beta-Alanine → DNP-beta-alanine

HRID 138120Notes

Reaction equation

HRID 138120 reaction equation
[CH3:25][CH2:26][OH:27].[N+:7](=[O:8])([O-:9])[c:10]1[c:11]([F:19])[cH:12][cH:13][c:14]([N+:16](=[O:17])[O-:18])[cH:15]1.[NH2:1][CH2:2][CH2:3][C:4]([OH:5])=[O:6].[Na+:24].[O-:20][C:21]([OH:22])=[O:23]>>[NH:1]([CH2:2][CH2:3][C:4]([OH:5])=[O:6])[c:11]1[c:10]([N+:7](=[O:8])[O-:9])[cH:15][c:14]([N+:16](=[O:17])[O-:18])[cH:13][cH:12]1

Participants

6

Reactant 5

HCID 239Beta-AlanineHCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6264Dinitrofluorobenzene

Product 1

HCID 4100851DNP-beta-alanine

Sources & evidence

ORD record
ord-a4af5ecfb1214834aed2a3db0abced4d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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