Potassium Cation → 1-(5-(3-Chloro-4-cyanophenyl)pyridin-3-yl)cyclopropanecarboxylic acid

HRID 2138628Notes

Reaction equation

HRID 2138628 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:8]2([C:11](=[O:12])[O-:13])[CH2:9][CH2:10]2)[cH:5][n:6][cH:7]1.[C:33](=[O:34])([O-:35])[O-:36].[Cl:15][c:16]1[c:17]([C:18]#[N:19])[cH:20][cH:21][c:22]([B:24]2[O:25][C:26]([CH3:27])([CH3:28])[C:29]([CH3:30])([CH3:31])[O:32]2)[cH:23]1.[K+:14].[Na+:37].[Na+:38].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43]>>[c:2]1(-[c:22]2[cH:21][cH:20][c:17]([C:18]#[N:19])[c:16]([Cl:15])[cH:23]2)[cH:3][c:4]([C:8]2([C:11](=[O:12])[OH:13])[CH2:9][CH2:10]2)[cH:5][n:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium CationHCID 923Sodium ion2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 579261132-Chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileHCID 595784151-(5-Bromo-3-pyridinyl)cyclopropane-1-carboxylate

Product 1

HCID 595784101-(5-(3-Chloro-4-cyanophenyl)pyridin-3-yl)cyclopropanecarboxylic acid

Sources & evidence

ORD record
ord-0b8d408221b04c788da8ccd6b3b26548
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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