Sodium ion → 1-benzenesulfonyl-5-fluoro-2-[1-(4-methanesulfonyl-phenyl)-2-(tetrahydro-pyran-4-yl)-vinyl]-1H-pyrrolo[2,3-b]pyridine

HRID 102297Notes

Reaction equation

HRID 102297 reaction equation
[CH3:39][S:40](=[O:41])(=[O:42])[c:43]1[cH:44][cH:45][c:46]([B:49]([OH:50])[OH:51])[cH:47][cH:48]1.[Na+:52].[Na+:53].[O-:54][C:55](=[O:56])[O-:57].[O:58]1[CH2:59][CH2:60][O:61][CH2:62][CH2:63]1.[Pd:64]([Cl:65])[Cl:66].[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[c:11]([C:20](=[CH:21][CH:22]3[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[O:28][S:29]([c:30]3[cH:31][cH:32][c:33]([CH3:34])[cH:35][cH:36]3)(=[O:37])=[O:38])[cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([F:19])[cH:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:67]1([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1.[c:86]1([P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[cH:100][cH:101][cH:102][cH:103][cH:104]1>>[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[c:11]([C:20](=[CH:21][CH:22]3[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[c:46]3[cH:45][cH:44][c:43]([S:40]([CH3:39])(=[O:41])=[O:42])[cH:48][cH:47]3)[cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([F:19])[cH:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 312751,4-DioxaneHCID 27343644-(Methanesulfonyl)phenylboronic acidHCID 86654513toluene-4-sulfonic acid 1-(1-benzenesulfonyl-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-(tetrahydro-pyran-4-yl)-vinyl ester

Product 1

HCID 672288591-benzenesulfonyl-5-fluoro-2-[1-(4-methanesulfonyl-phenyl)-2-(tetrahydro-pyran-4-yl)-vinyl]-1H-pyrrolo[2,3-b]pyridine

Sources & evidence

ORD record
ord-abd3c7b7bfe54276b0050f8e323e71b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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