Sodium ion → [2'-(3-Methoxypropyl)-3-methylbiphenyl-4-yl]acetonitrile

HRID 1116877Notes

Reaction equation

HRID 1116877 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:11])[c:5]([CH2:8][C:9]#[N:10])[cH:6][cH:7]1.[C:26](=[O:27])([O-:28])[O-:29].[CH3:12][O:13][CH2:14][CH2:15][CH2:16][c:17]1[c:18]([B:23]([OH:24])[OH:25])[cH:19][cH:20][cH:21][cH:22]1.[Na+:30].[Na+:31].[O:32]=[CH:33][N:34]([CH3:35])[CH3:36].[OH2:37]>>[c:2]1(-[c:18]2[c:17]([CH2:16][CH2:15][CH2:14][O:13][CH3:12])[cH:22][cH:21][cH:20][cH:19]2)[cH:3][c:4]([CH3:11])[c:5]([CH2:8][C:9]#[N:10])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 184142962-(4-Bromo-2-methylphenyl)acetonitrileHCID 58083347[2-(3-Methoxypropyl)phenyl]boronic acid

Product 1

HCID 58083338[2'-(3-Methoxypropyl)-3-methylbiphenyl-4-yl]acetonitrile

Sources & evidence

ORD record
ord-cd540e4f969f4dd2adf19f8fe8fbee23
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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