Acetic Acid → 2,2-Dimethyl-5-nitro-1,3-benzodioxole

HRID 2137185Notes

Reaction equation

HRID 2137185 reaction equation
[CH3:16][C:17](=[O:18])[OH:19].[CH3:5][C:6]1([CH3:15])[O:7][c:8]2[c:9]([cH:11][cH:12][cH:13][cH:14]2)[O:10]1.[OH:1][N+:2]([O-:3])=[O:4]>>[O-:1][N+:2](=[O:4])[c:12]1[cH:11][c:9]2[c:8]([cH:14][cH:13]1)[O:7][C:6]([CH3:5])([CH3:15])[O:10]2

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 944Nitric AcidHCID 2858692,2-Dimethyl-1,3-benzodioxole

Product 1

HCID 2330662,2-Dimethyl-5-nitro-1,3-benzodioxole

Sources & evidence

ORD record
ord-5dbb5a96eb584ab4b7d94f76d04ab03c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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