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[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([CH2:11][CH2:12][CH2:13][CH2:14][CH:15]([C:16]#[N:17])[NH:18][C:19]([CH:20]([NH:21][c:22]2[cH:23][c:24]3[c:28]([cH:29][cH:30]2)[CH2:27][O:26][C:25]3=[O:31])[CH2:32][c:33]2[cH:34][c:35]([CH3:39])[cH:36][cH:37][cH:38]2)=[O:40])[cH:8][cH:9][cH:10]1.[CH3:43][C:44](=[O:45])[C:46]([CH3:47])([CH3:48])[CH3:49].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[N:41]#[N:42]>>[O:2]=[C:3]([OH:4])[c:5]1[cH:6][c:7]([CH2:11][CH2:12][CH2:13][CH2:14][CH:15]([C:16]#[N:17])[NH:18][C:19]([CH:20]([NH:21][c:22]2[cH:23][c:24]3[c:28]([cH:29][cH:30]2)[CH2:27][O:26][C:25]3=[O:31])[CH2:32][c:33]2[cH:34][c:35]([CH3:39])[cH:36][cH:37][cH:38]2)=[O:40])[cH:8][cH:9][cH:10]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-a59f8f5a13754fe4aef6d3ad2521431f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…