Dimethyl Sulfoxide → 4-(2-Fluorophenyl)butanenitrile
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[CH3:27][S:28]([CH3:29])=[O:30].[Na:1][O:2][C:3]#[N:4].[O:5]([S:6]([c:7]1[cH:8][cH:9][c:10]([CH3:11])[cH:12][cH:13]1)(=[O:14])=[O:15])[CH2:16][CH2:17][CH2:18][c:19]1[c:20]([F:25])[cH:21][cH:22][cH:23][cH:24]1.[OH2:26]>>[C:3](#[N:4])[CH2:16][CH2:17][CH2:18][c:19]1[c:20]([F:25])[cH:21][cH:22][cH:23][cH:24]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-9ef3e394884c40d09fa1b34e44cb1ebf
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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