Bicarbonate Ion → 3'-Fluoro-4'-({4-[trans-4-(1-oxiran-2-ylethoxy)cyclohexyl]-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}methyl)biphenyl-2-carbonitrile
Reaction equation
[C:41](=[O:42])([O-:43])[OH:44].[CH3:53][C:54]#[N:55].[F:1][c:2]1[cH:3][c:4](-[c:33]2[c:34]([C:39]#[N:40])[cH:35][cH:36][cH:37][cH:38]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10](=[O:32])[n:11]([CH:21]2[CH2:22][CH2:23][CH:24]([O:27][CH:28]([CH2:29][OH:30])[CH3:31])[CH2:25][CH2:26]2)[c:12]2[n:13]([c:14]1[CH2:15][CH2:16][CH3:17])[n:18][cH:19][n:20]2.[Na+:45].[Na+:51].[Na+:52].[S:46]([O-:47])([O-:48])(=[O:49])=[S:50]>>[F:1][c:2]1[cH:3][c:4](-[c:33]2[c:34]([C:39]#[N:40])[cH:35][cH:36][cH:37][cH:38]2)[cH:5][cH:6][c:7]1[CH2:8][c:9]1[c:10](=[O:32])[n:11]([CH:21]2[CH2:22][CH2:23][CH:24]([O:27][CH:28]([CH:29]3[O:30][CH2:41]3)[CH3:31])[CH2:25][CH2:26]2)[c:12]2[n:13]([c:14]1[CH2:15][CH2:16][CH3:17])[n:18][cH:19][n:20]2Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-6c2f3ec48111433ebcfeca9ceace6943
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
Loading…