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[CH3:39][S:40](=[O:41])[CH3:42].[F:18][c:19]1[c:20]([C:21]#[N:22])[c:23]([NH:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:24][cH:25][cH:26]1.[H-:16].[Na+:17].[Na+:8].[O-:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[OH:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:19]1[c:20]([C:21]#[N:22])[c:23]([NH:27][c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:24][cH:25][cH:26]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-b796bb3c198e42ceb3092059f610300c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
연결된 노트
불러오는 중…