Ethanol → N-(2,3-dihydro-2,2-dimethyl-1H-inden-1-yl)-N'-cyanoformamidine
반응식
[CH2:13]([C:15](=[O:14])[NH:17][C:18]#[N:19])[CH3:16].[CH3:1][C:2]1([CH3:12])[CH:3]([NH2:11])[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[CH2:10]1.[CH3:20][CH2:21][OH:22]>>[CH3:1][C:2]1([CH3:12])[CH:3]([NH:11][CH:15]=[N:17][C:18]#[N:19])[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[CH2:10]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-5e69e633b5944f6ba9761fe8baa49486
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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