Sodium ion → 6-[4-(Methylthio)phenyl]-3-pyridinol

HRID 1540738Notes

Reaction equation

HRID 1540738 reaction equation
[Br:12][c:13]1[cH:14][cH:15][c:16]([OH:19])[cH:17][n:18]1.[C:20](=[O:21])([O-:22])[O-:23].[CH3:103][O:104][CH2:105][CH2:106][O:107][CH3:108].[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6]([B:9]([OH:10])[OH:11])[cH:7][cH:8]1.[Na+:24].[Na+:25].[cH:26]1[cH:27][cH:28][c:29]([P:30]([Pd:31]([P:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[cH:101][cH:102]1>>[CH3:1][S:2][c:3]1[cH:4][cH:5][c:6](-[c:13]2[cH:14][cH:15][c:16]([OH:19])[cH:17][n:18]2)[cH:7][cH:8]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 27339594-(Methylthio)phenylboronic acidHCID 27628652-Bromo-5-hydroxypyridineHCID 178420554HCID 178420554, compound

Product 1

HCID 532293556-[4-(Methylthio)phenyl]-3-pyridinol

Sources & evidence

ORD record
ord-16a025fc6c0f4fe2b84941153b1c60c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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