Sodium ion → 4[1-(1-benzenesulfonyl-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-(tetrahydro-pyran-4-yl)-vinyl]-2-fluoro-benzoic acid methyl ester

HRID 153244Notes

Reaction equation

HRID 153244 reaction equation
[CH3:39][O:40][C:41]([c:42]1[c:43]([F:57])[cH:44][c:45]([B:48]2[O:49][C:50]([CH3:51])([CH3:52])[C:53]([CH3:54])([CH3:55])[O:56]2)[cH:46][cH:47]1)=[O:58].[Na+:59].[Na+:60].[O-:61][C:62](=[O:63])[O-:64].[O:65]1[CH2:66][CH2:67][O:68][CH2:69][CH2:70]1.[Pd:71]([Cl:72])[Cl:73].[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:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1.[c:93]1([P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:107][cH:108][cH:109][cH:110][cH:111]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:45]3[cH:44][c:43]([F:57])[c:42]([C:41]([O:40][CH3:39])=[O:58])[cH:47][cH:46]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 221715283-Fluoro-4-methoxycarbonylphenylboronic acid, pinacol esterHCID 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 672296664[1-(1-benzenesulfonyl-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-(tetrahydro-pyran-4-yl)-vinyl]-2-fluoro-benzoic acid methyl ester

Sources & evidence

ORD record
ord-4b43677395e84b49b50102a160f11627
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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