Chloride → (4,6-Dimethyl-5'-trifluoromethyl-[2,3']bipyridinyl-5-yl)-(4-pyrrolidin-1-yl-piperidin-1-yl)-methanone
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[CH3:1][c:2]1[cH:3][c:4](-[c:12]2[cH:13][n:14][cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]2)[n:5][c:6]([CH3:11])[c:7]1[C:8](=[O:9])[OH:10].[Cl-:22].[N:23]1([CH:28]2[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2)[CH2:24][CH2:25][CH2:26][CH2:27]1>>[CH3:1][c:2]1[cH:3][c:4](-[c:12]2[cH:13][n:14][cH:15][c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]2)[n:5][c:6]([CH3:11])[c:7]1[C:8](=[O:10])[N:31]1[CH2:30][CH2:29][CH:28]([N:23]2[CH2:24][CH2:25][CH2:26][CH2:27]2)[CH2:33][CH2:32]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-bfb40e90cc194145bee9fe6b67791105
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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