Ammonium → 4'-({4-[4-(2-Hydroxy-1,1-dimethylpropoxy)phenyl]-5-oxo-7-propyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}methyl)biphenyl-2-carbonitrile
Reaction equation
[Br-:41].[CH3:1][C:2]([CH:3]=[O:4])([O:5][c:6]1[cH:7][cH:8][c:9](-[n:12]2[c:13]3[n:14]([c:15]([CH2:34][CH2:35][CH3:36])[c:16]([CH2:19][c:20]4[cH:21][cH:22][c:23](-[c:26]5[c:27]([C:32]#[N:33])[cH:28][cH:29][cH:30][cH:31]5)[cH:24][cH:25]4)[c:17]2=[O:18])[n:37][cH:38][n:39]3)[cH:10][cH:11]1)[CH3:40].[CH3:42][Mg+:43].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[Cl-:50].[NH4+:51].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1>>[CH3:1][C:2]([CH:3]([OH:4])[CH3:44])([O:5][c:6]1[cH:7][cH:8][c:9](-[n:12]2[c:13]3[n:14]([c:15]([CH2:34][CH2:35][CH3:36])[c:16]([CH2:19][c:20]4[cH:21][cH:22][c:23](-[c:26]5[c:27]([C:32]#[N:33])[cH:28][cH:29][cH:30][cH:31]5)[cH:24][cH:25]4)[c:17]2=[O:18])[n:37][cH:38][n:39]3)[cH:10][cH:11]1)[CH3:40]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-5061dc4613b84a0e9ac3891e629fc23b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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