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[Br:12][CH2:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20].[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][cH:7][c:8]([Br:11])[c:9]1[OH:10].[CH3:32][CH2:33][O:34][C:35]([CH3:36])=[O:37].[K+:21].[K+:22].[O-:23][C:24]([O-:25])=[O:26].[O:27]=[CH:28][N:29]([CH3:30])[CH3:31]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][cH:7][c:8]([Br:11])[c:9]1[O:10][CH2:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20]참가 물질
7
출처 및 근거
- ORD 기록
- ord-8dc3be95b25545e59267bf59d7fcf696
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…