1-(2-Fluoro-4-(trifluoromethyl)phenyl)piperazine → [4-(2-Fluoro-4-trifluoromethyl-phenyl)-piperazin-1-yl]-(5-methanesulfonyl-2-thiazol-2-yl-phenyl)-methanone

HRID 1546738Notes

Reaction equation

HRID 1546738 reaction equation
[CH3:18][S:19](=[O:20])(=[O:21])[c:22]1[cH:23][cH:24][c:25](-[c:31]2[s:32][cH:33][cH:34][n:35]2)[c:26]([C:27](=[O:28])[OH:29])[cH:30]1.[F:1][c:2]1[c:3]([N:12]2[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1>>[F:1][c:2]1[c:3]([N:12]2[CH2:13][CH2:14][N:15]([C:27]([c:26]3[c:25](-[c:31]4[s:32][cH:33][cH:34][n:35]4)[cH:24][cH:23][c:22]([S:19]([CH3:18])(=[O:20])=[O:21])[cH:30]3)=[O:28])[CH2:16][CH2:17]2)[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1

Participants

3

Reactant 2

HCID 468374951-(2-Fluoro-4-(trifluoromethyl)phenyl)piperazineHCID 598537385-Methanesulfonyl-2-thiazol-2-yl-benzoic acid

Product 1

HCID 59853693[4-(2-Fluoro-4-trifluoromethyl-phenyl)-piperazin-1-yl]-(5-methanesulfonyl-2-thiazol-2-yl-phenyl)-methanone

Sources & evidence

ORD record
ord-2e340ed419cb4457b7adceeb3e97d339
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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