Sodium ion → 1-benzenesulfonyl-2-[2-cyclopentyl-1-(4-methanesulfonyl-phenyl)-vinyl]-5-trifluoromethyl-1H-pyrrolo[2,3-b]pyridine

HRID 314203Notes

Reaction equation

HRID 314203 reaction equation
[CH3:41][S:42](=[O: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:23](=[CH:24][CH:25]3[CH2:26][CH2:27][CH2:28][CH2:29]3)[O:30][S:31]([c:32]3[cH:33][cH:34][c:35]([CH3:36])[cH:37][cH:38]3)(=[O:39])=[O:40])[cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[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:23](=[CH:24][CH:25]3[CH2:26][CH2:27][CH2:28][CH2:29]3)[c:48]3[cH:47][cH:46][c:45]([S:42]([CH3:41])(=[O:43])=[O:44])[cH:50][cH:49]3)[cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[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 86654519toluene-4-sulfonic acid 1-(1-benzenesulfonyl-5-trifluoromethyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-cyclopentyl-vinyl ester

Product 1

HCID 672286611-benzenesulfonyl-2-[2-cyclopentyl-1-(4-methanesulfonyl-phenyl)-vinyl]-5-trifluoromethyl-1H-pyrrolo[2,3-b]pyridine

Sources & evidence

ORD record
ord-2b2dc87c469b4d618a240b60e657acd7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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