Sodium ion → 2-Chloro-4-(5-fluoro-4-formylpyridin-3-yl)benzonitrile

HRID 109451Notes

Reaction equation

HRID 109451 reaction equation
[Br:19][c:20]1[c:21]([CH:22]=[O:23])[c:24]([F:28])[cH:25][n:26][cH:27]1.[C:29](=[O:30])([O-:31])[O-:32].[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][c:8]([B:10]2[O:11][C:12]([CH3:13])([CH3:14])[C:15]([CH3:16])([CH3:17])[O:18]2)[cH:9]1.[Na+:33].[Na+:34].[O:35]=[CH:36][N:37]([CH3:38])[CH3:39].[Pd:40]([Cl:41])[Cl:42].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1>>[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][c:8](-[c:20]2[c:21]([CH:22]=[O:23])[c:24]([F:28])[cH:25][n:26][cH:27]2)[cH:9]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 534291923-Bromo-5-fluoropyridine-4-carboxaldehydeHCID 579261132-Chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile

Product 1

HCID 866748382-Chloro-4-(5-fluoro-4-formylpyridin-3-yl)benzonitrile

Sources & evidence

ORD record
ord-4841ef4592b3401c8f27a70b90acb919
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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