Hexane → N-[3-(Diethylamino)propyl]-4-(4-fluorophenyl)-5-phenyl-1H-pyrazole-1-acetamide
반응식
[C:25]([O:26][CH3:27])([CH3:28])([CH3:29])[CH3:30].[CH2:37]([CH3:38])[N:39]([CH2:40][CH2:41][CH2:42][NH2:43])[CH2:44][CH3:45].[CH3:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][n:10][n:11]([CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[c:12]2-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][n:10][n:11]([CH2:19][C:20](=[O:21])[NH:43][CH2:42][CH2:41][CH2:40][N:39]([CH2:37][CH3:38])[CH2:44][CH3:45])[c:12]2-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:6][cH:7]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-96573b6423f2460092642025ef0a2c37
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
- DOI