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[B:48]([Br:49])([Br:50])[Br:51].[Cl:52][CH2:53][Cl:54].[F:1][c:2]1[cH:3][cH:4][c:5]([O:46][CH3:47])[c:6]([C:8]([CH2:9][C:10]([CH2:11][NH:12][c:13]2[c:14]3[cH:15][n:16][n:17](-[c:23]4[cH:24][c:25]([C:29](=[O:30])[N:31]5[CH:32]([C:33](=[O:34])[NH2:35])[CH2:36][CH2:37][CH2:38]5)[cH:26][cH:27][cH:28]4)[c:18]3[cH:19][c:20]([CH3:22])[cH:21]2)([C:39]([F:40])([F:41])[F:42])[OH:43])([CH3:44])[CH3:45])[cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([OH:46])[c:6]([C:8]([CH2:9][C:10]([CH2:11][NH:12][c:13]2[c:14]3[cH:15][n:16][n:17](-[c:23]4[cH:24][c:25]([C:29](=[O:30])[N:31]5[CH:32]([C:33](=[O:34])[NH2:35])[CH2:36][CH2:37][CH2:38]5)[cH:26][cH:27][cH:28]4)[c:18]3[cH:19][c:20]([CH3:22])[cH:21]2)([C:39]([F:40])([F:41])[F:42])[OH:43])([CH3:44])[CH3:45])[cH:7]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-726e8ea923064ea399524ecef5f90480
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
연결된 노트
불러오는 중…