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[CH3:35][C:36](=[O:37])[OH:38].[NH2:1][c:2]1[c:3]([S:12][c:13]2[c:14]([C:15]#[N:16])[cH:17][cH:18][cH:19][c:20]2[C:21]([F:22])([F:23])[F:24])[cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[Na+:26].[OH-:25].[OH2:44].[S:39](=[O:40])(=[O:41])([OH:42])[OH:43].[c:27]1([CH3:28])[c:29]([CH3:30])[cH:31][cH:32][cH:33][cH:34]1>>[NH:1]1[c:2]2[c:3]([cH:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]2)[S:12][c:13]2[c:14]([cH:17][cH:18][cH:19][c:20]2[C:21]([F:22])([F:23])[F:24])[C:15]1=[O:25]참가 물질
8
출처 및 근거
- ORD 기록
- ord-8556323a13eb4c088c8f3aa11b848775
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…