Potassium Cation → 2'-(Cyanomethyl)-1,1'-biphenyl-4-carboxylic acid

HRID 1148001Notes

Reaction equation

HRID 1148001 reaction equation
[Br:1][c:2]1[c:3]([CH2:8][C:9]#[N:10])[cH:4][cH:5][cH:6][cH:7]1.[C:11](=[O:12])([OH:13])[c:14]1[cH:15][cH:16][c:17]([B:20]([OH:21])[OH:22])[cH:18][cH:19]1.[C:23](=[O:24])([O-:25])[O-:26].[CH2:30]1[O:31][CH2:32][CH2:33][O:34][CH2:35]1.[K+:27].[K+:28].[OH2:29].[Pd:36]([Cl:37])[Cl:38].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1.[c:58]1([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73][cH:74][cH:75][cH:76]1>>[c:2]1(-[c:17]2[cH:16][cH:15][c:14]([C:11](=[O:12])[OH:13])[cH:19][cH:18]2)[c:3]([CH2:8][C:9]#[N:10])[cH:4][cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 962WaterHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 296252-Bromobenzyl cyanideHCID 312751,4-DioxaneHCID 3121834-Carboxyphenylboronic Acid

Product 1

HCID 686894952'-(Cyanomethyl)-1,1'-biphenyl-4-carboxylic acid

Sources & evidence

ORD record
ord-7151515b04d84dfcac33e796d7b70b15
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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