Ethanol → 4-Amino-2-ethoxybenzonitrile
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[C:20](=[O:21])([O-:22])[OH:23].[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([C:6]#[N:7])[cH:8][cH:9][c:10]([N+:12]([O-:13])=[O:14])[cH:11]1.[CH3:25][CH2:26][OH:27].[Na+:24].[OH2:15].[OH2:16].[Sn:17]([Cl:18])[Cl:19]>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5]([C:6]#[N:7])[cH:8][cH:9][c:10]([NH2:12])[cH:11]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-304e9da370fc451c9869729b6b525b3d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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