Nitric Acid → 5,6-Dinitro-2-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)-1,3-benzodioxole

HRID 135746Notes

Reaction equation

HRID 135746 reaction equation
[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]2[c:7]([cH:20][cH:21]1)[O:8][C:9]([C:11]([F:12])([F:13])[F:14])([CH2:15][C:16]([F:17])([F:18])[F:19])[O:10]2.[OH:22][N+:23]([O-:24])=[O:25].[S:26](=[O:27])(=[O:28])([OH:29])[OH:30]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]2[c:7]([cH:20][c:21]1[N+:23](=[O:22])[O-:24])[O:8][C:9]([C:11]([F:12])([F:13])[F:14])([CH2:15][C:16]([F:17])([F:18])[F:19])[O:10]2

Participants

4

Reactant 3

HCID 944Nitric AcidHCID 1118Sulfuric AcidHCID 538772305-Nitro-2-(2,2,2-trifluoroethyl)-2-trifluoromethyl-1,3-benzodioxole

Product 1

HCID 536607065,6-Dinitro-2-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)-1,3-benzodioxole

Sources & evidence

ORD record
ord-abdecfe42a034b6dbb4bff8d6a18ca45
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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