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

HRID 2335165Notes

Reaction equation

HRID 2335165 reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[Cu:49][I:50].[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+:39].[K+:40].[NH2:41][CH:42]1[CH2:43][CH2:44][CH2:45][CH2:46][CH:47]1[NH2:48].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[nH:30]1[n:31][cH:32][cH:33][cH:34]1>>[c:2]1(-[n:30]2[n:31][cH:32][cH: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

8

Reactant 7

HCID 813Potassium Cation2×HCID 1048PyrazoleHCID 46101,2-DiaminocyclohexaneHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 59793691(2-Iodo-5-methanesulfonyl-phenyl)-[4-(4-trifluoromethyl-phenyl)-piperazin-1-yl]-methanone

Product 1

HCID 68842692(5-Methanesulfonyl-2-pyrazol-1-yl-phenyl)-[4-(4-trifluoromethyl-phenyl)-piperazin-1-yl]-methanone

Sources & evidence

ORD record
ord-5285e318799948498c95e261790d1034
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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