Acetic Acid → 4-Amino-3-methylbenzonitrile
반응식
[C:13]([OH:14])(=[O:15])[CH3:16].[CH3:17][CH2:18][O:19][C:20]([CH3:21])=[O:22].[CH3:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]1[N+:10]([O-:11])=[O:12].[Fe:23]>>[CH3:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]1[NH2:10]참가 물질
5
출처 및 근거
- ORD 기록
- ord-ccbab9de9e2f425793010cbe8f4269e1
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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