Sodium ion → 3-Pyridinol, 6-[4-[(1-methylethyl)sulfonyl]phenyl]-

HRID 2138858Notes

Reaction equation

HRID 2138858 reaction equation
[Br:16][c:17]1[cH:18][cH:19][c:20]([OH:23])[cH:21][n:22]1.[C:24](=[O:25])([O-:26])[O-:27].[CH3:1][CH:2]([CH3:3])[S:4](=[O:5])(=[O:6])[c:7]1[cH:8][cH:9][c:10]([B:13]([OH:14])[OH:15])[cH:11][cH:12]1.[CH3:71][O:72][CH2:73][CH2:74][O:75][CH3:76].[Na+:28].[Na+:29].[Pd:30]([Cl:31])[Cl:32].[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1.[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1>>[CH3:1][CH:2]([CH3:3])[S:4](=[O:5])(=[O:6])[c:7]1[cH:8][cH:9][c:10](-[c:17]2[cH:18][cH:19][c:20]([OH:23])[cH:21][n:22]2)[cH:11][cH:12]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 27628652-Bromo-5-hydroxypyridineHCID 441193274-(Isopropylsulphonyl)benzeneboronic acid

Product 1

HCID 666732583-Pyridinol, 6-[4-[(1-methylethyl)sulfonyl]phenyl]-

Sources & evidence

ORD record
ord-c9deafbc35e247ec952279afef00cbe2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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