Sodium ion → 6-(4-(Methylsulfonyl)phenyl)pyridin-3-ol

HRID 677433Notes

Reaction equation

HRID 677433 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([OH:8])[cH:6][n:7]1.[C:22](=[O:23])([O-:24])[O-:25].[CH3:28][O:29][CH2:30][CH2:31][O:32][CH3:33].[CH3:34][CH2:35][O:36][C:37]([CH3:38])=[O:39].[CH3:9][S:10](=[O:11])(=[O:12])[c:13]1[cH:14][cH:15][c:16]([B:19]([OH:20])[OH:21])[cH:17][cH:18]1.[Na+:26].[Na+:27].[OH2:40].[Pd:41]([Cl:42])[Cl:43].[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1.[c:63]1([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78][cH:79][cH:80][cH:81]1>>[c:2]1(-[c:16]2[cH:15][cH:14][c:13]([S:10]([CH3:9])(=[O:11])=[O:12])[cH:18][cH:17]2)[cH:3][cH:4][c:5]([OH:8])[cH:6][n:7]1

Participants

10

Reactant 9

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 27343644-(Methanesulfonyl)phenylboronic acidHCID 27628652-Bromo-5-hydroxypyridine

Product 1

HCID 532295926-(4-(Methylsulfonyl)phenyl)pyridin-3-ol

Sources & evidence

ORD record
ord-66ecb1accf5545b79d9fbca39de1bc20
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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