Methane → Ethyl 4-((4-aminobenzyl)amino)-4-oxobutanoate
반응식
[C:21].[CH3:23][CH2:24][OH:25].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][NH:9][C:10]([CH2:11][CH2:12][C:13](=[O:14])[O:15][CH2:16][CH3:17])=[O:18])[cH:19][cH:20]1.[Pd:22]>>[NH2:1][c:4]1[cH:5][cH:6][c:7]([CH2:8][NH:9][C:10]([CH2:11][CH2:12][C:13](=[O:14])[O:15][CH2:16][CH3:17])=[O:18])[cH:19][cH:20]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-48ea5f88897041b5bb1859e064465f91
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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