Ethanol → 4'-({4-[1-(2-Hydroxyethyl)piperidin-4-yl]-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}methyl)biphenyl-2-carbonitrile
Reaction equation
[Br:35][CH2:36][CH2:37][OH:38].[CH3:45][CH2:46][OH:47].[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44].[O:1]=[c:2]1[n:3]([CH:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[c:4]2[n:5]([c:6]([CH2:23][CH2:24][CH3:25])[c:7]1[CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:21]#[N:22])[cH:17][cH:18][cH:19][cH:20]3)[cH:13][cH:14]1)[n:26][cH:27][n:28]2.[OH2:48]>>[O:1]=[c:2]1[n:3]([CH:29]2[CH2:30][CH2:31][N:32]([CH2:36][CH2:37][OH:38])[CH2:33][CH2:34]2)[c:4]2[n:5]([c:6]([CH2:23][CH2:24][CH3:25])[c:7]1[CH2:8][c:9]1[cH:10][cH:11][c:12](-[c:15]3[c:16]([C:21]#[N:22])[cH:17][cH:18][cH:19][cH:20]3)[cH:13][cH:14]1)[n:26][cH:27][n:28]2Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-3fb39593a1ac4f72a4d388430efc59ff
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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