Hydrochloric Acid → [4-(5-Ethanesulfonyl-thiazol-2-yl)-piperazin-1-yl]-[5-methanesulfonyl-2-(2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-methanone

HRID 121215Notes

Reaction equation

HRID 121215 reaction equation
[CH2:22]([CH3:23])[S:24](=[O:25])(=[O:26])[c:27]1[cH:28][n:29][c:30]([N:32]2[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[s:31]1.[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:14][CH:15]([C:16]([F:17])([F:18])[F:19])[CH3:20])[c:9]([C:10](=[O:11])[OH:12])[cH:13]1.[ClH:21]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:14][CH:15]([C:16]([F:17])([F:18])[F:19])[CH3:20])[c:9]([C:10](=[O:12])[N:35]2[CH2:34][CH2:33][N:32]([c:30]3[n:29][cH:28][c:27]([S:24]([CH2:22][CH3:23])(=[O:25])=[O:26])[s:31]3)[CH2:37][CH2:36]2)[cH:13]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 211001865-Ethylsulfonyl-2-piperazin-1-yl-1,3-thiazoleHCID 211003065-Methylsulfonyl-2-(2,2,2-trifluoro-1-methylethoxy)benzoic acid

Product 1

HCID 11548540[4-(5-Ethanesulfonyl-thiazol-2-yl)-piperazin-1-yl]-[5-methanesulfonyl-2-(2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-methanone

Sources & evidence

ORD record
ord-cfe9222b4a95454bb3b0e6c9e830e005
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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