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[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[CH3:5][O:6][c:7]1[c:8]([C:13]2([OH:46])[CH:14]3[CH2:15][N:16]([C:34]([CH:35]([CH3:36])[c:37]4[c:38]([O:43][CH3:44])[cH:39][cH:40][cH:41][cH:42]4)=[O:45])[CH2:17][CH:18]3[CH2:19][CH:20]([CH2:22][O:23][S:24]([c:25]3[cH:26][cH:27][c:28]([CH3:29])[cH:30][cH:31]3)(=[O:32])=[O:33])[CH2:21]2)[cH:9][cH:10][cH:11][cH:12]1.[N-:2]=[N+:3]=[N-:4].[Na+:1].[OH2:52]>>[N:2](=[N+:3]=[N-:4])[CH2:22][CH:20]1[CH2:19][CH:18]2[CH:14]([C:13]([c:8]3[c:7]([O:6][CH3:5])[cH:12][cH:11][cH:10][cH:9]3)([OH:46])[CH2:21]1)[CH2:15][N:16]([C:34]([CH:35]([CH3:36])[c:37]1[c:38]([O:43][CH3:44])[cH:39][cH:40][cH:41][cH:42]1)=[O:45])[CH2:17]2참가 물질
6
출처 및 근거
- ORD 기록
- ord-5937b1ece07c404cae9e2da55ce612d3
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
연결된 노트
불러오는 중…