Sodium ion → 4'-({2-Ethyl-1-[4-(2-methoxy-2-methylpropoxy)phenyl]-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl}methyl)biphenyl-2-carbonitrile

HRID 308053Notes

Reaction equation

HRID 308053 reaction equation
[CH2:1]([CH3:2])[c:3]1[n:4](-[c:28]2[cH:29][cH:30][c:31]([O:34][CH2:35][C:36]([CH3:37])([CH3:38])[OH:39])[cH:32][cH:33]2)[c:5](=[O:27])[c:6]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20]([C:25]#[N:26])[cH:21][cH:22][cH:23][cH:24]3)[cH:17][cH:18]2)[c:7]([CH2:9][CH2:10][CH3:11])[n:8]1.[CH3:42][I:43].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[H-:40].[Na+:41]>>[CH2:1]([CH3:2])[c:3]1[n:4](-[c:28]2[cH:29][cH:30][c:31]([O:34][CH2:35][C:36]([CH3:37])([CH3:38])[O:39][CH3:42])[cH:32][cH:33]2)[c:5](=[O:27])[c:6]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20]([C:25]#[N:26])[cH:21][cH:22][cH:23][cH:24]3)[cH:17][cH:18]2)[c:7]([CH2:9][CH2:10][CH3:11])[n:8]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 6228DimethylformamideHCID 6328Methyl iodideHCID 8857Ethyl AcetateHCID 166653HydrideHCID 57460856HCID 57460856, compound

Product 1

HCID 574608574'-({2-Ethyl-1-[4-(2-methoxy-2-methylpropoxy)phenyl]-6-oxo-4-propyl-1,6-dihydropyrimidin-5-yl}methyl)biphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-e50a40650dba449b964b0c4abfbdfa39
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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