Acetate → 1-Amino-5-(2-fluoro-5-methylphenyl)cyclohexen-3-one
반응식
[CH3:18][C:19](=[O:20])[O-:21].[CH3:22][CH2:23][OH:24].[F:1][c:2]1[c:3]([CH:9]2[CH2:10][C:11](=[O:16])[CH2:12][C:13](=[O:15])[CH2:14]2)[cH:4][c:5]([CH3:8])[cH:6][cH:7]1.[NH4+:17]>>[F:1][c:2]1[c:3]([CH:9]2[CH2:10][C:11](=[O:16])[CH:12]=[C:13]([NH2:17])[CH2:14]2)[cH:4][c:5]([CH3:8])[cH:6][cH:7]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-7f84735adbeb4586ac38dda58aa8487f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
반응 노트
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