Ethanol → 4-(3,5-Dimethylisoxazol-4-YL)-3-methylbenzoic acid
반응식
[CH3:1][c:2]1[n:3][o:4][c:5]([CH3:18])[c:6]1-[c:7]1[c:8]([CH3:17])[cH:9][c:10]([C:11](=[O:12])[O:13][CH3:14])[cH:15][cH:16]1.[CH3:21][CH2:22][OH:23].[Na+:20].[OH-:19].[OH2:24]>>[CH3:1][c:2]1[n:3][o:4][c:5]([CH3:18])[c:6]1-[c:7]1[c:8]([CH3:17])[cH:9][c:10]([C:11](=[O:12])[OH:13])[cH:15][cH:16]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-bd3582168f9d45e5b62a15cb99d4dffc
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
반응 노트
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