Ethanol → 1-[(2'-t-Butoxycarbonylbiphenyl-4-yl)methyl]-4-(1-hydroxybutyl)-2-propylimidazole-5-carbonitrile
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][n:21]3[c:22]([CH2:33][CH2:34][CH3:35])[n:23][c:24]([C:28]([CH2:29][CH2:30][CH3:31])=[O:32])[c:25]3[C:26]#[N:27])[cH:18][cH:19]2)[cH:10][cH:11][cH:12][cH:13]1.[CH3:36][CH2:37][OH:38]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9](-[c:14]2[cH:15][cH:16][c:17]([CH2:20][n:21]3[c:22]([CH2:33][CH2:34][CH3:35])[n:23][c:24]([CH:28]([CH2:29][CH2:30][CH3:31])[OH:32])[c:25]3[C:26]#[N:27])[cH:18][cH:19]2)[cH:10][cH:11][cH:12][cH:13]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-37b0a5566aa04828a758e89957e3d37b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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