2-Fluoro-4-(piperazin-1-YL)benzonitrile → 2-Fluoro-4-[4-(5-methanesulfonyl-2-thiazol-2-yl-benzoyl)-piperazin-1-yl]-benzonitrile
반응식
[CH3:16][S:17](=[O:18])(=[O:19])[c:20]1[cH:21][cH:22][c:23](-[c:29]2[s:30][cH:31][cH:32][n:33]2)[c:24]([C:25](=[O:26])[OH:27])[cH:28]1.[F:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][c:8]([N:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[cH:9]1>>[F:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][c:8]([N:10]2[CH2:11][CH2:12][N:13]([C:25]([c:24]3[c:23](-[c:29]4[s:30][cH:31][cH:32][n:33]4)[cH:22][cH:21][c:20]([S:17]([CH3:16])(=[O:18])=[O:19])[cH:28]3)=[O:26])[CH2:14][CH2:15]2)[cH:9]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-3674f233ad3a4afc80b24e66802acd63
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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