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[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:47][N:48]([c:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1)[CH3:55].[Cl:44][CH2:45][Cl:46].[N:24](=[N+:25]=[N-:26])[CH2:27][CH:28]([CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1)[NH2:36].[OH:1][C:2]([CH2:3][CH2:4][CH2:5][CH2:6][O:7][CH3:8])([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[CH:15]1[CH2:16][N:17]([C:21](=[O:22])[Cl:23])[CH2:18][CH2:19][CH2:20]1>>[OH:1][C:2]([CH2:3][CH2:4][CH2:5][CH2:6][O:7][CH3:8])([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[CH:15]1[CH2:16][N:17]([C:21](=[O:22])[NH:36][CH:28]([CH2:27][N:24]=[N+:25]=[N-:26])[CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH2:18][CH2:19][CH2:20]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-f205cc91541845bb8e87de985efadd67
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
연결된 노트
불러오는 중…