4-(4-Methylsulfonylphenyl)benzoic acid → [2-[(2-Methylpyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-[4-(4-methylsulfonylphenyl)phenyl]methanone
반응식
[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][cH:13][c:14]([C:17](=[O:18])[OH:19])[cH:15][cH:16]2)[cH:9][cH:10]1.[CH3:20][CH:21]1[N:22]([CH2:26][CH:27]2[NH:28][CH2:29][CH2:30][CH2:31]2)[CH2:23][CH2:24][CH2:25]1>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][cH:13][c:14]([C:17](=[O:19])[N:28]3[CH:27]([CH2:26][N:22]4[CH:21]([CH3:20])[CH2:25][CH2:24][CH2:23]4)[CH2:31][CH2:30][CH2:29]3)[cH:15][cH:16]2)[cH:9][cH:10]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-cc3634f0d5f04389af14203b36a3b724
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
반응 노트
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