Bicarbonate Ion → 4'-({5-Oxo-4-[trans-4-(2-oxopropoxy)cyclohexyl]-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}methyl)biphenyl-2-carbonitrile
Reaction equation
[C:43](=[O:44])([O-:45])[OH:46].[CH3:40][C:41]#[N:42].[Na+:47].[OH:1][CH:2]([CH2:3][O:4][CH:5]1[CH2:6][CH2:7][CH:8]([n:11]2[c:12]3[n:13]([c:14]([CH2:33][CH2:34][CH3:35])[c:15]([CH2:18][c:19]4[cH:20][cH:21][c:22](-[c:25]5[c:26]([C:31]#[N:32])[cH:27][cH:28][cH:29][cH:30]5)[cH:23][cH:24]4)[c:16]2=[O:17])[n:36][cH:37][n:38]3)[CH2:9][CH2:10]1)[CH3:39]>>[O:1]=[C:2]([CH2:3][O:4][CH:5]1[CH2:6][CH2:7][CH:8]([n:11]2[c:12]3[n:13]([c:14]([CH2:33][CH2:34][CH3:35])[c:15]([CH2:18][c:19]4[cH:20][cH:21][c:22](-[c:25]5[c:26]([C:31]#[N:32])[cH:27][cH:28][cH:29][cH:30]5)[cH:23][cH:24]4)[c:16]2=[O:17])[n:36][cH:37][n:38]3)[CH2:9][CH2:10]1)[CH3:39]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-8080ab03611d45aba7499b10220dab0c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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