Sodium Ion → 3-(4-Ethoxyphenyl)-3-oxopropanenitrile
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[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][cH:6][c:7]([C:8]([O:10][CH2:9][CH3:11])=[O:12])[cH:13][cH:14]1.[CH3:16][CH2:17][O-:18].[CH3:19][C:20]#[N:21].[CH3:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1.[Na+:15].[OH2:29]>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][cH:6][c:7]([C:8](=[O:10])[CH2:19][C:20]#[N:21])[cH:13][cH:14]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-3f0fa7bbbbb042dc8602aea46b154489
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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