Acetic Acid → Dimethyl 2-methyl-4-(2-cyanophenyl)-6-hydroxymethyl-1,4-dihydropyridine-3,5-dicarboxylate
반응식
[BH4-:26].[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH3:11])[CH:6]([c:12]2[c:13]([C:18]#[N:19])[cH:14][cH:15][cH:16][cH:17]2)[C:5]([C:20](=[O:21])[O:22][CH3:23])=[C:4]([CH:24]=[O:25])[NH:3]1.[CH3:28][C:29](=[O:30])[OH:31].[CH3:32][OH:33].[Na+:27].[OH2:34]>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH3:11])[CH:6]([c:12]2[c:13]([C:18]#[N:19])[cH:14][cH:15][cH:16][cH:17]2)[C:5]([C:20](=[O:21])[O:22][CH3:23])=[C:4]([CH2:24][OH:25])[NH:3]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-18b74b2886854f63a7444e781412c113
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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