1-(5-Methyl-4-trifluoromethyl-thiazol-2-yl)-piperazine → [5-Methanesulfonyl-2-(2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-[4-(5-methyl-4-trifluoromethyl-thiazol-2-yl)-piperazin-1-yl]-methanone

반응식

[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.[CH3:21][c:22]1[c:23]([C:33]([F:34])([F:35])[F:36])[n:24][c:25]([N:27]2[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]2)[s:26]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:12])[N:30]2[CH2:29][CH2:28][N:27]([c:25]3[n:24][c:23]([C:33]([F:34])([F:35])[F:36])[c:22]([CH3:21])[s:26]3)[CH2:32][CH2:31]2)[cH:13]1

참가 물질

반응물 2

HCID 211001891-(5-Methyl-4-trifluoromethyl-thiazol-2-yl)-piperazine

HCID 211003065-Methylsulfonyl-2-(2,2,2-trifluoro-1-methylethoxy)benzoic acid

생성물 1

HCID 11541197[5-Methanesulfonyl-2-(2,2,2-trifluoro-1-methyl-ethoxy)-phenyl]-[4-(5-methyl-4-trifluoromethyl-thiazol-2-yl)-piperazin-1-yl]-methanone

출처 및 근거

ORD 기록: ord-dab91e8734e64c7d98c2eaa580249d1e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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