Sodium ion → 2-(1-(3-(1H-pyrazol-1-yl)phenyl)-3-methylbut-1-enyl)-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine

HRID 175653Notes

Reaction equation

HRID 175653 reaction equation
[CH3:35][C:36]1([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41][B:42]([c:43]2[cH:44][c:45](-[n:49]3[n:50][cH:51][cH:52][cH:53]3)[cH:46][cH:47][cH:48]2)[O:54]1.[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[Na+:55].[Na+:56].[O-:57][C:58](=[O:59])[O-:60].[O:61]1[CH2:62][CH2:63][O:64][CH2:65][CH2:66]1.[Pd:73]([Cl:74])[Cl:75].[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[c:11]([C:19](=[CH:20][CH:21]([CH3:22])[CH3:23])[O:24][S:25]([c:26]3[cH:27][cH:28][c:29]([CH3:30])[cH:31][cH:32]3)(=[O:33])=[O:34])[cH:12][c:13]3[c:14]2[n:15][cH:16][cH:17][cH:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:76]1([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[cH:90][cH:91][cH:92][cH:93][cH:94]1.[c:95]1([P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[cH:109][cH:110][cH:111][cH:112][cH:113]1>>[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[c:11]([C:19](=[CH:20][CH:21]([CH3:22])[CH3:23])[c:43]3[cH:44][c:45](-[n:49]4[n:50][cH:51][cH:52][cH:53]4)[cH:46][cH:47][cH:48]3)[cH:12][c:13]3[c:14]2[n:15][cH:16][cH:17][cH:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 312751,4-DioxaneHCID 49612491-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyrazoleHCID 86654521toluene-4-sulfonic acid-1-(1-benzenesulfonyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-3-methyl-but-1-enyl ester

Product 1

HCID 672286202-(1-(3-(1H-pyrazol-1-yl)phenyl)-3-methylbut-1-enyl)-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine

Sources & evidence

ORD record
ord-b6516751dd3744f193f9cb8fe8b94f79
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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