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[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[CH3:46][CH2:47][OH:48].[Ca+2:11].[NH2:16][c:17]1[cH:18][c:19]([CH3:31])[c:20]([S:24](=[O:25])(=[O:26])[CH2:27][N+:28](=[O:29])[O-:30])[c:21]([CH3:23])[cH:22]1.[O-:12][C:13](=[O:14])[O-:15].[O:32]=[C:33]=[O:34].[O:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[c:1]1([CH2:7][C:8](=[O:9])[Cl:10])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([CH2:7][C:8](=[O:9])[NH:16][c:17]2[cH:18][c:19]([CH3:31])[c:20]([S:24](=[O:25])(=[O:26])[CH2:27][N+:28](=[O:29])[O-:30])[c:21]([CH3:23])[cH:22]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1참가 물질
9
출처 및 근거
- ORD 기록
- ord-bca678e0f9d84c729da86460231f920c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
연결된 노트
불러오는 중…