Acetic Acid → 3,4-dihydro-2,2-dimethyl-6-nitro-4-nitroso-2H-1,4-benzoxazine

HRID 686847Notes

Reaction equation

HRID 686847 reaction equation
[CH3:1][C:2]1([CH3:15])[O:3][c:4]2[c:5]([cH:8][c:9]([N+:12](=[O:13])[O-:14])[cH:10][cH:11]2)[NH:6][CH2:7]1.[CH3:22][OH:23].[CH3:24][C:25](=[O:26])[OH:27].[N:16](=[O:17])[O-:18].[Na+:19].[Na+:21].[OH-:20].[OH2:28]>>[CH3:1][C:2]1([CH3:15])[O:3][c:4]2[c:5]([cH:8][c:9]([N+:12](=[O:13])[O-:14])[cH:10][cH:11]2)[N:6]([N:16]=[O:17])[CH2:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ion2×HCID 946NitriteHCID 961HydroxideHCID 962WaterHCID 107270572,2-Dimethyl-6-nitro-3,4-dihydro-2H-benzo[B][1,4]oxazine

Product 1

HCID 152724143,4-dihydro-2,2-dimethyl-6-nitro-4-nitroso-2H-1,4-benzoxazine

Sources & evidence

ORD record
ord-5611cdd91880479fae1f10647b5053d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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