Potassium Cation → 2-Methyl-N-(3-{1-[5-(4-nitrophenyl)-5-oxopentyl]-4-piperidinyl}phenyl)propanamide
반응식
[CH3:23][CH:24]([C:25](=[O:26])[NH:27][c:28]1[cH:29][c:30]([CH:34]2[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]2)[cH:31][cH:32][cH:33]1)[CH3:40].[Cl:7][CH2:8][CH2:9][CH2:10][CH2:11][C:12](=[O:13])[c:14]1[cH:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][cH:19]1.[K+:1].[K+:2].[O-:3][C:4]([O-:5])=[O:6]>>[CH2:8]([CH2:9][CH2:10][CH2:11][C:12](=[O:13])[c:14]1[cH:15][cH:16][c:17]([N+:20](=[O:21])[O-:22])[cH:18][cH:19]1)[N:37]1[CH2:36][CH2:35][CH:34]([c:30]2[cH:29][c:28]([NH:27][C:25]([CH:24]([CH3:23])[CH3:40])=[O:26])[cH:33][cH:32][cH:31]2)[CH2:39][CH2:38]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-4cb59e5ec1434c3c8539b88e2f288786
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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