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[CH2:47]([Cl:48])[Cl:49].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[S:10][c:11]3[c:12]([cH:23][cH:24][cH:25][cH:26]3)[N:13]([CH2:18][CH2:19][N:20]([CH3:21])[CH3:22])[C:14](=[O:17])[CH:15]2[OH:16])[cH:7][cH:8]1.[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[Cl:34][c:35]1[cH:36][cH:37][c:38]([N+:44](=[O:45])[O-:46])[c:39]([C:40](=[O:41])[Cl:42])[cH:43]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[S:10][c:11]3[c:12]([cH:23][cH:24][cH:25][cH:26]3)[N:13]([CH2:18][CH2:19][N:20]([CH3:21])[CH3:22])[C:14](=[O:17])[CH:15]2[O:16][C:40]([c:39]2[c:38]([N+:44](=[O:45])[O-:46])[cH:37][cH:36][c:35]([Cl:34])[cH:43]2)=[O:41])[cH:7][cH:8]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-4b8b07af37ff449b84fed45f6622bdad
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…