Potassium Cation → 5'-Acetyl-4,2'-difluorobiphenyl-2-carbonitrile

HRID 140553Notes

Reaction equation

HRID 140553 reaction equation
[Br:20][c:21]1[c:22]([C:23]#[N:24])[cH:25][c:26]([F:29])[cH:27][cH:28]1.[C:32]([P:33]([C:34]([CH3:35])([CH3:36])[CH3:37])[C:38]([CH3:39])([CH3:40])[CH3:41])([CH3:42])([CH3:43])[CH3:44].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[Cl:51][CH2:52][Cl:53].[F-:30].[F:1][c:2]1[c:3]([B:11]2[O:12][C:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[O:19]2)[cH:4][c:5]([C:8]([CH3:9])=[O:10])[cH:6][cH:7]1.[K+:31].[OH2:50]>>[F:1][c:2]1[c:3](-[c:21]2[c:22]([C:23]#[N:24])[cH:25][c:26]([F:29])[cH:27][cH:28]2)[cH:4][c:5]([C:8]([CH3:9])=[O:10])[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 813Potassium CationHCID 962WaterHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 28179Fluoride IonHCID 83681Tris(1,1-dimethylethyl)phosphineHCID 936542-Bromo-5-fluorobenzonitrileHCID 222735921-(4-Fluoro-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethan-1-one

Product 1

HCID 222735995'-Acetyl-4,2'-difluorobiphenyl-2-carbonitrile

Sources & evidence

ORD record
ord-cc658d04fbe84cb0a24625f680e876d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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