Acetic Acid → 4,4-diethyl-6-nitro-1,4-dihydro-2H-3,1-benzoxazin-2-one

Reaction equation

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

Participants

Reactant 4

HCID 176Acetic Acid

HCID 944Nitric Acid

HCID 1118Sulfuric Acid

HCID 200422084,4-Diethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one

Product 1

HCID 200420994,4-diethyl-6-nitro-1,4-dihydro-2H-3,1-benzoxazin-2-one

Sources & evidence

ORD record: ord-925a77ce4cae4c89a1f9b7af2e047395
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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