Methane → 4-(4-Aminophenyl)cyclohexan-1-one
반응식
[C:32].[CH3:17][CH2:18][N:19]([CH2:20][CH3:21])[CH2:22][CH3:23].[H:24][H:25].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[CH2:11][CH2:12][C:13](=[O:16])[CH2:14][CH2:15]2)[cH:8][cH:9]1.[O:26]1[CH2:27][CH2:28][O:29][CH2:30][CH2:31]1.[Pd:33]>>[NH2:1][c:4]1[cH:5][cH:6][c:7]([CH:10]2[CH2:11][CH2:12][C:13](=[O:16])[CH2:14][CH2:15]2)[cH:8][cH:9]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-6b8d7ff2eb0f4b998ccae93253abca7e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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