Acetate → 2-Cyano-4'-methylbiphenyl

HRID 1546524Notes

Reaction equation

HRID 1546524 reaction equation
[CH3:34][C:35](=[O:36])[O-:37].[CH3:38][S:39]([CH3:40])=[O:41].[CH3:46][c:47]1[cH:48][cH:49][c:50]([CH3:51])[cH:52][cH:53]1.[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][cH:8][cH:9]1.[Na+:20].[Na+:21].[Na+:33].[O-:22][C:23](=[O:24])[O-:25].[OH2:45].[OH:26][CH2:27][CH2:28][NH:29][CH2:30][CH2:31][OH:32].[Pd:42]([Cl:43])[Cl:44].[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 175AcetateHCID 679Dimethyl SulfoxideHCID 923Sodium ion3×HCID 962WaterHCID 7809P-XyleneHCID 8113DiethanolamineHCID 133912-ChlorobenzonitrileHCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 79799Tolylboronic acid

Product 1

HCID 1455122-Cyano-4'-methylbiphenyl

Sources & evidence

ORD record
ord-f9ec9a08cee84db98f87e506239da02e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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