Acetic Acid → Methyl 4-bromo-5-phenylisoxazole-3-carboxylate

HRID 171028Notes

Reaction equation

HRID 171028 reaction equation
[Br:16][N:17]1[C:18](=[O:19])[CH2:20][CH2:21][C:22]1=[O:23].[CH3:28][C:29](=[O:30])[OH:31].[OH:24][N+:25](=[O:26])[O-:27].[c:1]1(-[c:7]2[cH:8][c:9]([C:12](=[O:13])[O:14][CH3:15])[n:10][o:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[c:8]([Br:16])[c:9]([C:12](=[O:13])[O:14][CH3:15])[n:10][o:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 944Nitric AcidHCID 67184N-bromobutanimideHCID 905953Methyl 5-phenyl-1,2-oxazole-3-carboxylate

Product 1

HCID 6426093Methyl 4-bromo-5-phenylisoxazole-3-carboxylate

Sources & evidence

ORD record
ord-2b71aebfb85f4ce385dadef3cc1cb070
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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