Nitric Acid → 2,2,7-trifluoro-6-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one

HRID 1540166Notes

Reaction equation

HRID 1540166 reaction equation
[F:1][C:2]1([F:14])[C:3](=[O:13])[NH:4][c:5]2[c:6]([cH:8][c:9]([F:12])[cH:10][cH:11]2)[O:7]1.[OH2:24].[OH:20][N+:21]([O-:22])=[O:23].[S:15](=[O:16])(=[O:17])([OH:18])[OH:19]>>[F:1][C:2]1([F:14])[C:3](=[O:13])[NH:4][c:5]2[c:6]([cH:8][c:9]([F:12])[c:10]([N+:21](=[O:20])[O-:22])[cH:11]2)[O:7]1

Participants

5

Reactant 4

HCID 944Nitric AcidHCID 962WaterHCID 1118Sulfuric AcidHCID 574754482,2,7-trifluoro-2H-benzo[b][1,4]oxazin-3(4H)-one

Product 1

HCID 668358542,2,7-trifluoro-6-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one

Sources & evidence

ORD record
ord-bcecc63a7b1e4c4a9d7c04137e2fbd11
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…