Hydrochloric Acid → [5-Methanesulfonyl-2-(1-trifluoromethyl-propoxy)-phenyl]-[4-(5-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]([CH2:16][CH3:17])[C:18]([F:19])([F:20])[F:21])[c:9]([C:10](=[O:11])[OH:12])[cH:13]1.[ClH:22].[F:23][C:24]([c:25]1[cH:26][n:27][c:28]([N:30]2[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]2)[s:29]1)([F:36])[F:37]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:14][CH:15]([CH2:16][CH3:17])[C:18]([F:19])([F:20])[F:21])[c:9]([C:10](=[O:12])[N:33]2[CH2:32][CH2:31][N:30]([c:28]3[n:27][cH:26][c:25]([C:24]([F:23])([F:36])[F:37])[s:29]3)[CH2:35][CH2:34]2)[cH:13]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-b64b3c780e8a4d93a1d096769b9a4ac1
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
- DOI