Nitric Acid → 5-Nitro-2-(1-chloro-2,2,2-trifluoroethyl)-2-trifluoromethyl-1,3-benzodioxol

HRID 90036Notes

Reaction equation

HRID 90036 reaction equation
[CH2:29]([Cl:30])[Cl:31].[Cl:1][CH:2]([C:3]([F:4])([F:5])[F:6])[C:7]1([C:16]([F:17])([F:18])[F:19])[O:8][c:9]2[c:10]([cH:12][cH:13][cH:14][cH:15]2)[O:11]1.[OH:20][N+:21]([O-:22])=[O:23].[S:24](=[O:25])(=[O:26])([OH:27])[OH:28]>>[Cl:1][CH:2]([C:3]([F:4])([F:5])[F:6])[C:7]1([C:16]([F:17])([F:18])[F:19])[O:8][c:9]2[c:10]([cH:12][c:13]([N+:21](=[O:20])[O-:22])[cH:14][cH:15]2)[O:11]1

Participants

5

Reactant 4

HCID 944Nitric AcidHCID 1118Sulfuric AcidHCID 6344DichloromethaneHCID 544550482-(1-Chloro-2,2,2-trifluoroethyl)-2-trifluoromethyl-1,3-benzodioxole

Product 1

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

Sources & evidence

ORD record
ord-adf52e953bc04b2aa2f9e09406818288
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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