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

Reaction equation

[N+:5](=[O:6])([O-:7])[c:8]1[cH:9][c:10]2[c:11]([cH:25][cH:26]1)[O:12][C:13]([C:15]([F:16])([F:17])[F:18])([CH:19]([C:20]([F:21])([F:22])[F:23])[Cl:24])[O:14]2.[OH:1][N+:2]([O-:3])=[O:4].[S:27](=[O:28])(=[O:29])([OH:30])[OH:31]>>[N+:2]([O-:3])(=[O:4])[c:26]1[c:8]([N+:5](=[O:6])[O-:7])[cH:9][c:10]2[c:11]([cH:25]1)[O:12][C:13]([C:15]([F:16])([F:17])[F:18])([CH:19]([C:20]([F:21])([F:22])[F:23])[Cl:24])[O:14]2

Participants

Reactant 3

HCID 944Nitric Acid

HCID 1118Sulfuric Acid

HCID 545213925-Nitro-2-(1-chloro-2,2,2-trifluoroethyl)-2-trifluoromethyl-1,3-benzodioxol

Product 1

HCID 536605592-(1-Chloro-2,2,2-trifluoroethyl)-5,6-dinitro-2-(trifluoromethyl)-1,3-benzodioxole

Sources & evidence

ORD record: ord-dd95b487b91f4ae9acd384af41fbb984
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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