Ethanol → 3-(3,4-Dimethylphenyl)-2-(3-fluorophenyl)prop-2-enenitrile
반응식
[CH3:1][c:2]1[cH:3][c:4]([CH:5]=[O:6])[cH:7][cH:8][c:9]1[CH3:10].[CH3:21][O-:22].[CH3:24][CH2:25][OH:26].[F:11][c:12]1[cH:13][c:14]([CH2:18][C:19]#[N:20])[cH:15][cH:16][cH:17]1.[Na+:23]>>[CH3:1][c:2]1[cH:3][c:4]([CH:5]=[C:18]([c:14]2[cH:13][c:12]([F:11])[cH:17][cH:16][cH:15]2)[C:19]#[N:20])[cH:7][cH:8][c:9]1[CH3:10]참가 물질
6
출처 및 근거
- ORD 기록
- ord-6fc9b732f5b84562b126492db0f2cbc3
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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