Acetic Acid → 2,2-dimethyl-5,6-dinitro-1,3-benzodioxole

HRID 91674Notes

Reaction equation

HRID 91674 reaction equation
[CH3:5][C:6](=[O:7])[OH:8].[CH3:9][C:10]1([CH3:22])[O:11][c:12]2[c:13]([cH:15][cH:16][c:17]([N+:19](=[O:20])[O-:21])[cH:18]2)[O:14]1.[OH2:23].[OH:1][N+:2]([O-:3])=[O:4]>>[N+:2]([O-:3])(=[O:4])[c:16]1[cH:15][c:13]2[c:12]([cH:18][c:17]1[N+:19](=[O:20])[O-:21])[O:11][C:10]([CH3:9])([CH3:22])[O:14]2

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 944Nitric AcidHCID 962WaterHCID 2330662,2-Dimethyl-5-nitro-1,3-benzodioxole

Product 1

HCID 50472752,2-dimethyl-5,6-dinitro-1,3-benzodioxole

Sources & evidence

ORD record
ord-0e4aa24cc7bb4847bdd1047d0f360144
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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