Ethanol → 1-[(4-Chlorophenyl)methyl]-2-(nitromethylidene)hexahydropyrimidine
반응식
[CH3:23][CH2:24][OH:25].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][CH2:8][CH2:9][CH2:10][NH2:11])[cH:12][cH:13]1.[N+:14](=[O:15])([O-:16])[CH:17]=[C:18]([S:19][CH3:20])[S:21][CH3:22]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][N:7]2[CH2:8][CH2:9][CH2:10][NH:11][C:18]2=[CH:17][N+:14](=[O:15])[O-:16])[cH:12][cH:13]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-2178ec23d78b40a1a7312b23b1a98757
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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