Methanol → 2-Nitro-(2'-methyl-2'-cyanoethyl)-aniline
반응식
[C:11]([C:12](=[CH2:13])[CH3:14])#[N:15].[CH3:21][OH:22].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH2:6])[cH:7][cH:8][cH:9][cH:10]1.[O:16]1[CH2:17][CH2:18][CH2:19][CH2:20]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH:6][CH2:13][CH:12]([C:11]#[N:15])[CH3:14])[cH:7][cH:8][cH:9][cH:10]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-053d4c55b1ab407cbae400801ee62266
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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