Benzene → 3-Methyl-4-(phenylsulfanyl)butan-1-ol
반응식
[CH3:1][C:2]([CH2:3][CH2:4][OH:5])=[CH2:6].[N:14]#[C:15][C:16]([N:17]=[N:18][C:19]([C:20]#[N:21])([CH3:22])[CH3:23])([CH3:24])[CH3:25].[SH:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1.[cH:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[CH3:1][CH:2]([CH2:3][CH2:4][OH:5])[CH2:6][S:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-8053af716966430c8ea6010fb3bdc826
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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