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[CH3:19][O:20][C:21]([CH:22]([NH2:23])[CH2:24][c:25]1[cH:26][nH:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]12)=[O:34].[CH3:35][OH:36].[Cl:37][CH:38]([Cl:39])[Cl:40].[ClH:18].[F:1][c:2]1[cH:3][c:4]([CH2:9][C:10](=[O:11])[NH:12][CH:13]([CH3:14])[C:15](=[O:16])[OH:17])[cH:5][c:6]([F:8])[cH:7]1>>[F:1][c:2]1[cH:3][c:4]([CH2:9][C:10](=[O:11])[NH:12][CH:13]([CH3:14])[C:15](=[O:17])[NH:23][CH:22]([C:21]([O:20][CH3:19])=[O:34])[CH2:24][c:25]2[cH:26][nH:27][c:28]3[cH:29][cH:30][cH:31][cH:32][c:33]23)[cH:5][c:6]([F:8])[cH:7]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-3f4a1ede644046cea521cba95663071f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…