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[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:48][C:49]#[N:50].[F:1][c:2]1[cH:3][c:4]([C:9]2([OH:17])[O:10][CH2:11][CH:12]([CH3:16])[NH:13][CH:14]2[CH3:15])[cH:5][c:6]([F:8])[cH:7]1.[NH2:25][S:26](=[O:27])(=[O:28])[c:29]1[c:30]([Cl:47])[cH:31][c:32]([NH:40][CH2:41][c:42]2[o:43][cH:44][cH:45][cH:46]2)[c:33]([C:34](=[O:35])[O:36][CH2:37][Cl:38])[cH:39]1>>[F:1][c:2]1[cH:3][c:4]([C:9]2([OH:17])[O:10][CH2:11][CH:12]([CH3:16])[N:13]([CH2:37][O:36][C:34]([c:33]3[c:32]([NH:40][CH2:41][c:42]4[o:43][cH:44][cH:45][cH:46]4)[cH:31][c:30]([Cl:47])[c:29]([S:26]([NH2:25])(=[O:27])=[O:28])[cH:39]3)=[O:35])[CH:14]2[CH3:15])[cH:5][c:6]([F:8])[cH:7]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-067ae2a508954a7ab709fda6de281f3e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
연결된 노트
불러오는 중…