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[C:44](=[O:45])([O-:46])[O-:47].[CH3:30][S:31](=[O:32])(=[O:33])[O:34][c:35]1[cH:36][c:37]([B:41]([OH:42])[OH:43])[cH:38][cH:39][cH:40]1.[CH3:50][C:51]#[N:52].[K+:48].[K+:49].[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([I:11])[cH:9][cH:10]1)[NH:12][C:13](=[O:14])[C:15]1([NH:21][C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH2:16][CH2:17][O:18][CH2:19][CH2:20]1)=[O:29].[OH2:53]>>[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:37]2[cH:36][c:35]([O:34][S:31]([CH3:30])(=[O:32])=[O:33])[cH:40][cH:39][cH:38]2)[cH:9][cH:10]1)[NH:12][C:13](=[O:14])[C:15]1([NH:21][C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH2:16][CH2:17][O:18][CH2:19][CH2:20]1)=[O:29]참가 물질
7
출처 및 근거
- ORD 기록
- ord-5ed13b77e35f45ecbfb8e24e728c7376
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
연결된 노트
불러오는 중…