Methane → Ethyl 3-(2,6-difluoro-4-methoxyphenyl)propanoate
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[C:26].[CH3:23][CH2:24][OH:25].[F:1][c:2]1[c:3]([CH:11]=[CH:12][C:13](=[O:14])[O:15][CH2:16][CH3:17])[c:4]([F:10])[cH:5][c:6]([O:8][CH3:9])[cH:7]1.[O:18]1[CH2:19][CH2:20][CH2:21][CH2:22]1.[Pd:27]>>[F:1][c:2]1[c:3]([CH2:11][CH2:12][C:13](=[O:14])[O:15][CH2:16][CH3:17])[c:4]([F:10])[cH:5][c:6]([O:8][CH3:9])[cH:7]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-a384c30015a44fed83ff214bbe23b371
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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