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[C:13](=[O:14])([n:15]1[cH:16][cH:17][n:18][cH:19]1)[n:20]1[cH:21][cH:22][n:23][cH:24]1.[NH2:1][c:2]1[s:3][c:4]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[c:5]([CH3:7])[n:6]1.[NH2:25][CH:26]([CH2:27][OH:28])[CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1>>[NH:1]([c:2]1[s:3][c:4]([C:8](=[O:9])[O:10][CH2:11][CH3:12])[c:5]([CH3:7])[n:6]1)[C:13](=[O:14])[NH:25][CH:26]([CH2:27][OH:28])[CH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-1536f0127aec49cbb0bcc1266fa7e58b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…