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

HRID 2131477Notes

Reaction equation

HRID 2131477 reaction equation
[CH3:36][O:37][C:38]([c:39]1[c:40]([F:54])[cH:41][c:42]([B:45]2[O:46][C:47]([CH3:48])([CH3:49])[C:50]([CH3:51])([CH3:52])[O:53]2)[cH:43][cH:44]1)=[O:55].[Na+:56].[Na+:57].[O-:58][C:59](=[O:60])[O-:61].[O:62]1[CH2:63][CH2:64][O:65][CH2:66][CH2:67]1.[Pd:68]([Cl:69])[Cl:70].[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[c:11]([C:20](=[CH:21][CH:22]([CH3:23])[CH3:24])[O:25][S:26]([c:27]3[cH:28][cH:29][c:30]([CH3:31])[cH:32][cH:33]3)(=[O:34])=[O:35])[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:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]1.[c:90]1([P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[cH:104][cH:105][cH:106][cH:107][cH:108]1>>[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[c:11]([C:20](=[CH:21][CH:22]([CH3:23])[CH3:24])[c:42]3[cH:41][c:40]([F:54])[c:39]([C:38]([O:37][CH3:36])=[O:55])[cH:44][cH:43]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 86654514toluene-4-sulfonic acid 1-(1-benzenesulfonyl-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-3-methyl-but-1-enyl ester

Product 1

HCID 672286354-[1-(1-benzenesulfonyl-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-3-methyl-but-1-enyl]-2-fluoro-benzoic acid methyl ester

Sources & evidence

ORD record
ord-bb023c04d59047dd83ead0b5a76478e0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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