Acetic Acid → 2-Amino-4-fluoro-6-methylbenzonitrile
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[CH3:1][C:2](=[O:3])[OH:4].[CH3:28][OH:29].[ClH:5].[F:13][c:14]1[cH:15][c:16]([CH3:25])[c:17]([C:18]#[N:19])[c:20]([N+:22]([O-:23])=[O:24])[cH:21]1.[Na+:27].[OH-:26].[OH2:6].[OH2:7].[Sn:8]([Cl:9])([Cl:10])([Cl:11])[Cl:12]>>[F:13][c:14]1[cH:15][c:16]([CH3:25])[c:17]([C:18]#[N:19])[c:20]([NH2:22])[cH:21]1참가 물질
9
출처 및 근거
- ORD 기록
- ord-b0658ed378854927969f260cf2150a27
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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