Nitromethane → Methyl 3-methyl-4-nitrobutanoate
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[CH2:20]([CH2:21][C:22](=[O:23])[CH2:24][C:25]([O-:26])=[O:27])[CH3:28].[CH3:1][O:2][C:3]([CH:4]=[CH:5][CH3:6])=[O:7].[CH3:8][NH:9][C:10](=[N:11][CH3:12])[N:13]([CH3:14])[CH3:15].[N+:16](=[O:17])([O-:18])[CH3:19]>>[CH3:1][O:2][C:3]([CH2:4][CH:5]([CH3:6])[CH2:19][N+:16](=[O:17])[O-:18])=[O:7]참가 물질
5
출처 및 근거
- ORD 기록
- ord-f8bccb65c30e49908369853a1601f444
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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