Acetate → 2-Cyano-4'-methylbiphenyl

HRID 2139698Notes

Reaction equation

HRID 2139698 reaction equation
[C:41]([O-:42])(=[O:43])[CH3:44].[C:46]([O-:47])(=[O:48])[CH3:49].[CH3:22][c:23]1[cH:24][cH:25][c:26]([CH3:27])[cH:28][cH:29]1.[CH3:37][S:38]([CH3:39])=[O:40].[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][cH:8][cH:9]1.[F-:20].[K+:21].[OH2:36].[OH:30][CH2:31][CH:32]([CH2:33][OH:34])[OH:35].[Pd+2:45].[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 753GlycerolHCID 813Potassium CationHCID 962WaterHCID 7809P-XyleneHCID 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-01b8cf6d6d074d5099015bcca8b11c16
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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