Trifluoroacetic acid → N-methyl-N-[[4-(4-piperazin-1-ylbut-2-enoxymethyl)cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide

HRID 1130878Notes

Reaction equation

HRID 1130878 reaction equation
[Br:1][CH2:2][CH:3]=[CH:4][CH2:5][O:6][CH2:7][CH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][N:15]([S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)[CH3:29])[CH2:12][CH2:13]1.[C:30]([O:31][C:32](=[O:33])[N:37]1[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1)([CH3:34])([CH3:35])[CH3:36].[CH3:50][N:51]([CH3:52])[C:53](=[O:54])[CH3:55].[OH:43][C:44]([C:45]([F:46])([F:47])[F:48])=[O:49]>>[CH2:2]([CH:3]=[CH:4][CH2:5][O:6][CH2:7][CH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][N:15]([S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][c:22]([C:25]([F:26])([F:27])[F:28])[cH:23][cH:24]2)[CH3:29])[CH2:12][CH2:13]1)[N:37]1[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1

Participants

5

Reactant 4

HCID 6422Trifluoroacetic acidHCID 31374DimethylacetamideHCID 143452tert-Butyl piperazine-1-carboxylateHCID 69638461N-[[4-(4-bromobut-2-enoxymethyl)cyclohexyl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide

Product 1

HCID 69638265N-methyl-N-[[4-(4-piperazin-1-ylbut-2-enoxymethyl)cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide

Sources & evidence

ORD record
ord-e437e782ff5a43fdaefaf65303ce4f90
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…