Benzene → (3,3,3-Trifluoro-1-nitroprop-1-enyl)cyclohexane

HRID 1220141Notes

Reaction equation

HRID 1220141 reaction equation
[CH3:18][O:19][C:20]([NH:21][S:22]([N+:23]([CH2:24][CH3:25])([CH2:26][CH3:27])[CH2:28][CH3:29])(=[O:30])=[O:31])=[O:32].[CH:1]1([CH:7]([CH:8]([C:9]([F:10])([F:11])[F:12])[OH:13])[N+:14](=[O:15])[O-:16])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[OH-:17].[cH:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[CH:1]1([C:7](=[CH:8][C:9]([F:10])([F:11])[F:12])[N+:14](=[O:15])[O-:16])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

5

Reactant 4

HCID 241BenzeneHCID 961HydroxideHCID 2724995Triethyl(methoxycarbonylsulfamoyl)aminiumHCID 579305243-Cyclohexyl-1,1,1-trifluoro-3-nitropropan-2-ol

Product 1

HCID 66704837(3,3,3-Trifluoro-1-nitroprop-1-enyl)cyclohexane

Sources & evidence

ORD record
ord-173084a9c90545f19ba4e4dbb59b5306
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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