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

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

Reactant 4

HCID 6228Dimethylformamide

HCID 92571H-1,2,4-Triazole

HCID 5360545Sodium

HCID 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)
DOI: 10.1039/C8SC04228D

Reaction notes

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