Potassium Cation → (5-Methanesulfonyl-2-[1,2,4]triazol-1-yl-phenyl)-[4-(4-trifluoromethyl-phenyl)-piperazin-1-yl]-methanone

HRID 310428Notes

Reaction equation

HRID 310428 reaction equation
[Cu:43][I:44].[I:1][c:2]1[c:3]([C:12](=[O:13])[N:14]2[CH2:15][CH2:16][N:17]([c:20]3[cH:21][cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]3)[CH2:18][CH2:19]2)[cH:4][c:5]([S:8](=[O:9])(=[O:10])[CH3:11])[cH:6][cH:7]1.[K+:40].[K+:41].[K+:42].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[P:35]([O-:36])([O-:37])([O-:38])=[O:39].[nH:30]1[n:31][cH:32][n:33][cH:34]1>>[c:2]1(-[n:30]2[n:31][cH:32][n:33][cH:34]2)[c:3]([C:12](=[O:13])[N:14]2[CH2:15][CH2:16][N:17]([c:20]3[cH:21][cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]3)[CH2:18][CH2:19]2)[cH:4][c:5]([S:8](=[O:9])(=[O:10])[CH3:11])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 6228DimethylformamideHCID 92571H-1,2,4-TriazoleHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 59793691(2-Iodo-5-methanesulfonyl-phenyl)-[4-(4-trifluoromethyl-phenyl)-piperazin-1-yl]-methanone

Product 1

HCID 68838801(5-Methanesulfonyl-2-[1,2,4]triazol-1-yl-phenyl)-[4-(4-trifluoromethyl-phenyl)-piperazin-1-yl]-methanone

Sources & evidence

ORD record
ord-1985a25f49c948feb98871d8a839a901
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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