Acetic Acid → 3-Cyano-7,8-difluoro-1-methyl-4-oxo-1,2,3,4-tetrahydrobenzo[b][1,8]naphthyridine
반응식
[CH2:1]([O:2][C:4](=[O:5])[c:6]1[c:7]([N:18]([CH2:19][CH2:20][C:21]#[N:22])[CH3:23])[n:8][c:9]2[cH:10][c:11]([F:17])[c:12]([F:16])[cH:13][c:14]2[cH:15]1)[CH3:3].[CH3:24][C:25](=[O:26])[OH:27].[O:28]1[CH2:29][CH2:30][CH2:31][CH2:32]1>>[C:4]1(=[O:5])[c:6]2[c:7]([n:8][c:9]3[cH:10][c:11]([F:17])[c:12]([F:16])[cH:13][c:14]3[cH:15]2)[N:18]([CH3:23])[CH2:19][CH:20]1[C:21]#[N:22]참가 물질
4
출처 및 근거
- ORD 기록
- ord-5b9a539b133c47bd9ce967bb60332059
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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