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

Reaction equation

[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]2[c:7]([cH:21][cH:22]1)[O:8][C:9]([C:11]([F:12])([F:13])[F:14])([CH:15]([C:16]([F:17])([F:18])[F:19])[Cl:20])[O:10]2.[OH:23][N+:24]([O-:25])=[O:26].[S:27](=[O:28])(=[O:29])([OH:30])[OH:31]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]2[c:7]([cH:21][c:22]1[N+:24](=[O:23])[O-:25])[O:8][C:9]([C:11]([F:12])([F:13])[F:14])([CH:15]([C:16]([F:17])([F:18])[F:19])[Cl:20])[O:10]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-0442b4a348fa4b6e83649c77a0e3e6cb
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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