Sodium Ion → [2-Benzyl-4-(quinolin-4-ylmethylamino)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
반응식
[BH4-:44].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[N:9]([C:32]([c:33]2[cH:34][c:35]([C:39]([F:40])([F:41])[F:42])[cH:36][cH:37][cH:38]2)=[O:43])[CH2:10][CH2:11][CH:12]([N:14]([C:15](=[O:16])[C:17]([F:18])([F:19])[F:20])[CH2:21][c:22]2[cH:23][cH:24][n:25][c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]23)[CH2:13]1.[Na+:45]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[N:9]([C:32]([c:33]2[cH:34][c:35]([C:39]([F:40])([F:41])[F:42])[cH:36][cH:37][cH:38]2)=[O:43])[CH2:10][CH2:11][CH:12]([NH:14][CH2:21][c:22]2[cH:23][cH:24][n:25][c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]23)[CH2:13]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-c1c0acae8d6e40228bdedb37d4e17ccd
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)