Formate → 5-(4-Fluoro-3-methoxyphenylethynyl)-nicotinonitrile
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[C:21](=[O:22])([O-:23])[O-:24].[CH3:27][C:28]#[N:29].[CH:30]([O-:31])=[O:32].[I:19][CH3:20].[K+:25].[K+:26].[Na+:33].[OH:1][c:2]1[cH:3][c:4]([C:9]#[C:10][c:11]2[cH:12][n:13][cH:14][c:15]([C:16]#[N:17])[cH:18]2)[cH:5][cH:6][c:7]1[F:8]>>[O:1]([c:2]1[cH:3][c:4]([C:9]#[C:10][c:11]2[cH:12][n:13][cH:14][c:15]([C:16]#[N:17])[cH:18]2)[cH:5][cH:6][c:7]1[F:8])[CH3:21]참가 물질
8
출처 및 근거
- ORD 기록
- ord-49e9b25bc75549bbbdf746d920ef1bd5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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