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[CH2:54]([Cl:55])[Cl:56].[CH3:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16].[CH3:26][O:27][C:28]1=[C:33]([O:34][CH3:35])[C:32](=[O:36])[C:31]([CH2:37][c:38]2[cH:39][cH:40][c:41]([O:47][C:48]([CH3:49])=[O:50])[c:42]([C:43](=[O:44])[OH:45])[cH:46]2)=[C:30]([CH3:51])[C:29]1=[O:52].[Cl-:17].[Cl:18][CH:19]1[N:20]([CH3:21])[CH2:22][CH2:23][NH+:24]1[CH3:25].[NH2:1][c:2]1[cH:3][c:4]([O:8][CH3:9])[n:5][cH:6][cH:7]1.[OH2:53]>>[NH:1]([c:2]1[cH:3][c:4]([O:8][CH3:9])[n:5][cH:6][cH:7]1)[C:43]([c:42]1[c:41]([O:47][C:48]([CH3:49])=[O:50])[cH:40][cH:39][c:38]([CH2:37][C:31]2=[C:30]([CH3:51])[C:29](=[O:52])[C:28]([O:27][CH3:26])=[C:33]([O:34][CH3:35])[C:32]2=[O:36])[cH:46]1)=[O:44]참가 물질
8
출처 및 근거
- ORD 기록
- ord-151916476b0547eb937366122221744f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
연결된 노트
불러오는 중…