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[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([CH2:35][O:36][C:37]([CH3:38])=[O:39])[O:7][CH:8]([c:19]2[cH:20][c:21]([CH2:26][c:27]3[cH:28][c:29]([NH2:34])[c:30]([OH:33])[cH:31][cH:32]3)[c:22]([Cl:25])[cH:23][cH:24]2)[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14].[C:45](=[O:46])([O-:47])[O-:48].[CH3:51][C:52]#[N:53].[Cl:40][C:41]([C:42]#[N:43])=[CH2:44].[K+:49].[K+:50]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([CH2:35][O:36][C:37]([CH3:38])=[O:39])[O:7][CH:8]([c:19]2[cH:20][c:21]([CH2:26][c:27]3[cH:28][c:29]4[c:30]([cH:31][cH:32]3)[O:33][CH:41]([C:42]#[N:43])[CH2:44][NH:34]4)[c:22]([Cl:25])[cH:23][cH:24]2)[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14]참가 물질
6
출처 및 근거
- ORD 기록
- ord-f6483dcefd484ed29a482bd01218e8c9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…