Ethanol → 3-(4-Cyano-3-hydroxy-phenyl)-propionic acid
반응식
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH2:6][c:7]1[cH:8][c:9]([OH:15])[c:10]([C:13]#[N:14])[cH:11][cH:12]1)=[O:16].[CH3:19][CH2:20][OH:21].[Na+:18].[OH-:17].[OH2:22]>>[O:3]=[C:4]([CH2:5][CH2:6][c:7]1[cH:8][c:9]([OH:15])[c:10]([C:13]#[N:14])[cH:11][cH:12]1)[OH:16]참가 물질
6
출처 및 근거
- ORD 기록
- ord-ce5e6ce63d2d4f49b2080722084cba85
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
반응 노트
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