Formic Acid → Ethyl 3-(4-cyanophenyl)propanoate
반응식
[CH2:1]([CH3:2])[O:3][C:4]([CH:5]=[CH:6][c:7]1[cH:8][cH:9][c:10]([C:13]#[N:14])[cH:11][cH:12]1)=[O:15].[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[CH3:26][CH2:27][O:28][C:29](=[O:30])[CH3:31].[CH:23]([OH:24])=[O:25]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH2:6][c:7]1[cH:8][cH:9][c:10]([C:13]#[N:14])[cH:11][cH:12]1)=[O:15]참가 물질
5
출처 및 근거
- ORD 기록
- ord-52bab238343847f6b2ace7b342bab881
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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