Methanol → 4'-{[4-(trans-4-Hydroxycyclohexyl)-2-methyl-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}-2'-methylbiphenyl-2-carbonitrile
반응식
[BH4-:43].[CH3:1][c:2]1[c:3](-[c:30]2[c:31]([C:36]#[N:37])[cH:32][cH:33][cH:34][cH:35]2)[cH:4][cH:5][c:6]([CH2:8][c:9]2[c:10](=[O:29])[n:11]([CH:22]3[CH2:23][CH2:24][C:25](=[O:28])[CH2:26][CH2:27]3)[c:12]3[n:13]([c:14]2[CH2:15][CH2:16][CH3:17])[n:18][c:19]([CH3:21])[n:20]3)[cH:7]1.[CH3:45][OH:46].[Na+:44].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1>>[CH3:1][c:2]1[c:3](-[c:30]2[c:31]([C:36]#[N:37])[cH:32][cH:33][cH:34][cH:35]2)[cH:4][cH:5][c:6]([CH2:8][c:9]2[c:10](=[O:29])[n:11]([CH:22]3[CH2:23][CH2:24][CH:25]([OH:28])[CH2:26][CH2:27]3)[c:12]3[n:13]([c:14]2[CH2:15][CH2:16][CH3:17])[n:18][c:19]([CH3:21])[n:20]3)[cH:7]1참가 물질
6
반응물 5
생성물 1
출처 및 근거
- ORD 기록
- ord-2763e24659a64f0f94f7b3217f88f1b0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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