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[CH3:39][S:40]([CH3:41])=[O:42].[K+:2].[N+:3](=[O:4])([O-:5])[c:6]1[cH:7][cH:8][c:9]2[c:10](-[c:15]3[cH:16][cH:17][c:18]([C:19]#[N:20])[cH:21][cH:22]3)[cH:11][nH:12][c:13]2[cH:14]1.[O:23]([S:24]([c:25]1[cH:26][cH:27][c:28]([CH3:29])[cH:30][cH:31]1)(=[O:32])=[O:33])[CH:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[OH-:1]>>[N+:3](=[O:4])([O-:5])[c:6]1[cH:7][cH:8][c:9]2[c:10](-[c:15]3[cH:16][cH:17][c:18]([C:19]#[N:20])[cH:21][cH:22]3)[cH:11][n:12]([CH:34]3[CH2:35][CH2:36][CH2:37][CH2:38]3)[c:13]2[cH:14]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-154e6ec348b44bf795579fdf29c464ee
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
연결된 노트
불러오는 중…