Sodium ion → 4-[1-(1-benzenesulfonyl-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-cyclopentyl-vinyl]-N-tert-butyl-benzamide

HRID 2129304Notes

Reaction equation

HRID 2129304 reaction equation
[C:38]([CH3:39])([CH3:40])([CH3:41])[NH:42][C:43](=[O:44])[c:45]1[cH:46][cH:47][c:48]([B:51]([OH:52])[OH:53])[cH:49][cH:50]1.[Na+:54].[Na+:55].[O-:56][C:57](=[O:58])[O-:59].[O:60]1[CH2:61][CH2:62][O:63][CH2:64][CH2:65]1.[Pd:66]([Cl:67])[Cl:68].[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][CH2:25][CH2:26]3)[O:27][S:28]([c:29]3[cH:30][cH:31][c:32]([CH3:33])[cH:34][cH:35]3)(=[O:36])=[O:37])[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:69]1([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)[cH:83][cH:84][cH:85][cH:86][cH:87]1.[c:88]1([P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[cH:102][cH:103][cH:104][cH:105][cH:106]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][CH2:25][CH2:26]3)[c:48]3[cH:47][cH:46][c:45]([C:43]([NH:42][C:38]([CH3:39])([CH3:40])[CH3:41])=[O:44])[cH:50][cH:49]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 2773312(4-(tert-Butylcarbamoyl)phenyl)boronic acidHCID 86654507toluene-4-sulfonic acid 1-(1-benzenesulfonyl-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-cyclopentyl-vinyl ester

Product 1

HCID 672276014-[1-(1-benzenesulfonyl-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-cyclopentyl-vinyl]-N-tert-butyl-benzamide

Sources & evidence

ORD record
ord-30712d58ceb446879cb4145ea48bf11d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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