Ammonium → 2-(3-Benzoylphenyl)propionitrile
반응식
[CH3:1][S:2][C:3]([C:4]#[N:5])([CH3:6])[c:7]1[cH:8][c:9]([C:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)=[O:20])[cH:10][cH:11][cH:12]1.[CH3:21][S-:22].[CH3:26][OH:27].[Cl-:24].[NH4+:25].[Na+:23]>>[CH:3]([C:4]#[N:5])([CH3:6])[c:7]1[cH:8][c:9]([C:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)=[O:20])[cH:10][cH:11][cH:12]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-a2c06eae02914e9693117e342e4a2632
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
반응 노트
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