Methane → 3-Isopropyl-4-methoxyphenylacetonitrile
반응식
[C:18].[C:1](=[CH2:2])([CH3:3])[c:4]1[cH:5][c:6]([CH2:12][C:13]#[N:14])[cH:7][cH:8][c:9]1[O:10][CH3:11].[CH3:15][CH2:16][OH:17].[Pd:19]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][c:6]([CH2:12][C:13]#[N:14])[cH:7][cH:8][c:9]1[O:10][CH3:11]참가 물질
5
출처 및 근거
- ORD 기록
- ord-3a805449ff414f8cb645ca135dc66602
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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