Sodium ion → 3-(3-{[[5-(2-methoxypyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl](methyl)amino]methyl}-1,2,4-oxadiazol-5-yl)benzonitrile

HRID 305750Notes

Reaction equation

HRID 305750 reaction equation
[CH3:19][S:20]([O:21][CH2:24][c:25]1[n:26][o:27][c:28](-[c:30]2[cH:31][c:32]([C:36]#[N:37])[cH:33][cH:34][cH:35]2)[n:29]1)(=[O:22])=[O:23].[CH3:3][O:4][c:5]1[n:6][cH:7][cH:8][c:9](-[c:11]2[n:12]([CH3:18])[c:13]([NH:16][CH3:17])[n:14][n:15]2)[cH:10]1.[H-:1].[Na+:2].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[CH3:3][O:4][c:5]1[n:6][cH:7][cH:8][c:9](-[c:11]2[n:12]([CH3:18])[c:13]([N:16]([CH3:17])[CH2:24][c:25]3[n:26][o:27][c:28](-[c:30]4[cH:31][c:32]([C:36]#[N:37])[cH:33][cH:34][cH:35]4)[n:29]3)[n:14][n:15]2)[cH:10]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 166653HydrideHCID 57837975[5-(3-Cyanophenyl)-1,2,4-oxadiazol-3-yl]methyl methanesulfonateHCID 578379845-(2-methoxypyridin-4-yl)-N,4-dimethyl-4H-1,2,4-triazol-3-amine

Product 1

HCID 115169363-(3-{[[5-(2-methoxypyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl](methyl)amino]methyl}-1,2,4-oxadiazol-5-yl)benzonitrile

Sources & evidence

ORD record
ord-1a329089b6284f8c851347a0e9028dc2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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