Toluene → N-[[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl][(4-morpholinyl)thio]amino]carbonyl]-2,6-difluorobenzamide
반응식
[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Cl:14][c:15]1[c:16]([O:17][c:18]2[cH:19][c:20]([F:32])[c:21]([NH:24][S:25][N:26]3[CH2:27][CH2:28][O:29][CH2:30][CH2:31]3)[cH:22][cH:23]2)[cH:33][cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]1.[F:1][c:2]1[c:3]([C:4](=[O:5])[N:6]=[C:7]=[O:8])[c:9]([F:13])[cH:10][cH:11][cH:12]1>>[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][C:7](=[O:8])[N:24]([c:21]2[c:20]([F:32])[cH:19][c:18]([O:17][c:16]3[c:15]([Cl:14])[cH:36][c:35]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:33]3)[cH:23][cH:22]2)[S:25][N:26]2[CH2:27][CH2:28][O:29][CH2:30][CH2:31]2)[c:9]([F:13])[cH:10][cH:11][cH:12]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-1e56821eb046475c861fb6e82578a064
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
- DOI