Acetate → 2-Cyano-4'-methylbiphenyl

HRID 1133390Notes

Reaction equation

HRID 1133390 reaction equation
[C:42]([O-:43])(=[O:44])[CH3:45].[C:47]([O-:48])(=[O:49])[CH3:50].[CH3:22][c:23]1[cH:24][cH:25][c:26]([CH3:27])[cH:28][cH:29]1.[CH3:38][S:39]([CH3:40])=[O:41].[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][cH:8][cH:9]1.[F-:20].[K+:21].[OH2:37].[OH:30][CH2:31][CH2:32][O:33][CH2:34][CH2:35][OH:36].[Pd+2:46].[c:10]1([CH3:19])[cH:11][cH:12][c:13]([B:16]([OH:17])[OH:18])[cH:14][cH:15]1>>[c:2]1(-[c:13]2[cH:12][cH:11][c:10]([CH3:19])[cH:15][cH:14]2)[c:3]([C:4]#[N:5])[cH:6][cH:7][cH:8][cH:9]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 962WaterHCID 7809P-XyleneHCID 8117Diethylene GlycolHCID 133912-ChlorobenzonitrileHCID 28179Fluoride IonHCID 79799Tolylboronic acidHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)

Product 1

HCID 1455122-Cyano-4'-methylbiphenyl

Sources & evidence

ORD record
ord-a7b047f1a6ac438ba2ea309af86590d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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