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[CH3:22][n:23]1[n:24][cH:25][c:26]2[cH:27][c:28]([NH2:32])[cH:29][cH:30][c:31]12.[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:1][c:2]1[n:3][c:4]([Cl:21])[c:5]2[c:6]([n:7]1)[n:8]([S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH3:18])[cH:19][cH:20]1)[cH:9][cH:10]2.[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[OH2:54]>>[Cl:1][c:2]1[n:3][c:4]([NH:32][c:28]2[cH:27][c:26]3[cH:25][n:24][n:23]([CH3:22])[c:31]3[cH:30][cH:29]2)[c:5]2[c:6]([n:7]1)[n:8]([S:11](=[O:12])(=[O:13])[c:14]1[cH:15][cH:16][c:17]([CH3:18])[cH:19][cH:20]1)[cH:9][cH:10]2참가 물질
7
출처 및 근거
- ORD 기록
- ord-d90e4c4ce28d4ba89c7db7612d6d60ef
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…