Dichloromethane → N-{[1-(4-Fluoro-4-phenyl-cyclohexyl)-azetidin-3-ylcarbamoyl]-methyl}-3-trifluoromethyl-benzamide
반응식
[CH2:35]([N:36]([S:37]([F:38])([F:39])[F:41])[CH2:40][CH3:42])[CH3:43].[Cl:44][CH2:45][Cl:46].[OH:1][C:2]1([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[CH2:3][CH2:4][CH:5]([N:8]2[CH2:9][CH:10]([NH:12][C:13](=[O:14])[CH2:15][NH:16][C:17]([c:18]3[cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][cH:22][cH:23]3)=[O:28])[CH2:11]2)[CH2:6][CH2:7]1>>[C:2]1([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)([F:41])[CH2:3][CH2:4][CH:5]([N:8]2[CH2:9][CH:10]([NH:12][C:13](=[O:14])[CH2:15][NH:16][C:17]([c:18]3[cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[cH:21][cH:22][cH:23]3)=[O:28])[CH2:11]2)[CH2:6][CH2:7]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-867e4a436ac14373bd4e94fb304af95a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
- DOI