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[Br:13][CH2:14][CH2:15][c:16]1[c:17]([Cl:31])[cH:18][c:19]([O:20][C:21]([C:22](=[O:23])[O:24][CH2:25][CH3:26])([CH3:27])[CH3:28])[cH:29][cH:30]1.[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[NH2:1][CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([OH:11])[cH:9][cH:10]1)[CH3:12].[OH2:41]>>[NH:1]([CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([OH:11])[cH:9][cH:10]1)[CH3:12])[CH2:14][CH2:15][c:16]1[c:17]([Cl:31])[cH:18][c:19]([O:20][C:21]([C:22](=[O:23])[O:24][CH2:25][CH3:26])([CH3:27])[CH3:28])[cH:29][cH:30]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-f1e11c5d5f9a4cd0abc52a2f6a012176
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…