Dimethylformamide → 4-[[2-(1h-1,2,4-Triazol-1-yl)ethyl](2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile

HRID 691754Notes

Reaction equation

HRID 691754 reaction equation
[CH3:1][S:2]([O:3][CH2:6][CH2:7][N:8]([CH2:9][C:10]([F:11])([F:12])[F:13])[c:14]1[cH:15][c:16]([C:22]([F:23])([F:24])[F:25])[c:17]([C:20]#[N:21])[cH:18][cH:19]1)(=[O:4])=[O:5].[Na:26].[O:32]=[CH:33][N:34]([CH3:35])[CH3:36].[nH:27]1[n:28][cH:29][n:30][cH:31]1>>[CH2:6]([CH2:7][N:8]([CH2:9][C:10]([F:11])([F:12])[F:13])[c:14]1[cH:15][c:16]([C:22]([F:23])([F:24])[F:25])[c:17]([C:20]#[N:21])[cH:18][cH:19]1)[n:27]1[n:28][cH:29][n:30][cH:31]1

Participants

5

Reactant 4

HCID 6228DimethylformamideHCID 92571H-1,2,4-TriazoleHCID 5360545SodiumHCID 866237322-[[4-Cyano-3-(trifluoromethyl)phenyl](2,2,2-trifluoroethyl)amino]ethyl methanesulfonate

Product 1

HCID 875240344-[[2-(1h-1,2,4-Triazol-1-yl)ethyl](2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile

Sources & evidence

ORD record
ord-a59dc8cdf2354d3eaca6bc7b5b523551
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…