Nitric Acid → 5,6-Dinitro-2-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)-1,3-benzodioxole
Reaction equation
[N+:5](=[O:6])([O-:7])[c:8]1[cH:9][c:10]2[c:11]([cH:24][cH:25]1)[O:12][C:13]([C:15]([F:16])([F:17])[F:18])([CH2:19][C:20]([F:21])([F:22])[F:23])[O:14]2.[OH:1][N+:2]([O-:3])=[O:4].[S:26](=[O:27])(=[O:28])([OH:29])[OH:30]>>[N+:2]([O-:3])(=[O:4])[c:25]1[c:8]([N+:5](=[O:6])[O-:7])[cH:9][c:10]2[c:11]([cH:24]1)[O:12][C:13]([C:15]([F:16])([F:17])[F:18])([CH2:19][C:20]([F:21])([F:22])[F:23])[O:14]2Participants
4
Sources & evidence
- ORD record
- ord-45f29f0ba0c540a8a1109331c433680f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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