Acetone → 4'-{[4-(3-Hydroxy-1,5-dioxaspiro[5.5]undec-9-yl)-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl}biphenyl-2-carbonitrile
Reaction equation
[CH2:1]=[C:2]1[CH2:3][O:4][C:5]2([O:6][CH2:7]1)[CH2:8][CH2:9][CH:10]([n:13]1[c:14]3[n:15]([c:16]([CH2:35][CH2:36][CH3:37])[c:17]([CH2:20][c:21]4[cH:22][cH:23][c:24](-[c:27]5[c:28]([C:33]#[N:34])[cH:29][cH:30][cH:31][cH:32]5)[cH:25][cH:26]4)[c:18]1=[O:19])[n:38][cH:39][n:40]3)[CH2:11][CH2:12]2.[CH3:47][C:48](=[O:49])[CH3:50].[CH3:51][C:52]#[N:53].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[I+3:41]([O-:42])([O-:43])([O-:44])[O-:45].[Na+:46].[OH2:59].[Os:54](=[O:55])(=[O:56])(=[O:57])=[O:58]>>[CH:2]1([OH:42])[CH2:3][O:4][C:5]2([O:6][CH2:7]1)[CH2:8][CH2:9][CH:10]([n:13]1[c:14]3[n:15]([c:16]([CH2:35][CH2:36][CH3:37])[c:17]([CH2:20][c:21]4[cH:22][cH:23][c:24](-[c:27]5[c:28]([C:33]#[N:34])[cH:29][cH:30][cH:31][cH:32]5)[cH:25][cH:26]4)[c:18]1=[O:19])[n:38][cH:39][n:40]3)[CH2:11][CH2:12]2Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-929d8b6214fa407da3ca497a10cbeb95
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
Loading…