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[Br:17][c:18]1[n:19][c:20]([C:25](=[O:26])[OH:27])[nH:21][c:22]1[CH2:23][CH3:24].[NH2:1][CH:2]1[CH:3]([O:15][CH3:16])[CH2:4][N:5]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:6][CH2:7]1.[OH:28][n:29]1[c:30]2[c:31]([cH:32][cH:33][cH:34][cH:35]2)[n:36][n:37]1>>[NH:1]([CH:2]1[CH:3]([O:15][CH3:16])[CH2:4][N:5]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:6][CH2:7]1)[C:25]([c:20]1[n:19][c:18]([Br:17])[c:22]([CH2:23][CH3:24])[nH:21]1)=[O:26]참가 물질
4
출처 및 근거
- ORD 기록
- ord-aa5f45a59c514734b9953afd7a1575ec
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…