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

HRID 149035Notes

Reaction equation

HRID 149035 reaction equation
[CH3:42][S:43](=[O:44])(=[O:45])[c:46]1[cH:47][cH:48][c:49]([B:52]([OH:53])[OH:54])[cH:50][cH:51]1.[Na+:55].[Na+:56].[O-:57][C:58](=[O:59])[O-:60].[O:61]1[CH2:62][CH2:63][O:64][CH2:65][CH2:66]1.[Pd:67]([Cl:68])[Cl:69].[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[c:11]([C:24](=[CH:25][CH:26]3[CH2:27][CH2:28][CH2:29][CH2:30]3)[O:31][S:32]([c:33]3[cH:34][cH:35][c:36]([CH3:37])[cH:38][cH:39]3)(=[O:40])=[O:41])[cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([C:19]#[C:20][CH2:21][O:22][CH3:23])[cH:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:70]1([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[cH:84][cH:85][cH:86][cH:87][cH:88]1.[c:89]1([P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[cH:103][cH:104][cH:105][cH:106][cH:107]1>>[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[c:11]([C:24](=[CH:25][CH:26]3[CH2:27][CH2:28][CH2:29][CH2:30]3)[c:49]3[cH:48][cH:47][c:46]([S:43]([CH3:42])(=[O:44])=[O:45])[cH:51][cH:50]3)[cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([C:19]#[C:20][CH2:21][O:22][CH3:23])[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 86654506toluene-4-sulfonic acid 1-[1-benzenesulfonyl-5-(3-methoxy-prop-1-ynyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2-cyclopentyl-vinyl ester

Product 1

HCID 672293591-benzenesulfonyl-2-[2-cyclopentyl-1-(4-methanesulfonyl-phenyl)-vinyl]-5-(3-methoxy-prop-1-ynyl)-1H-pyrrolo[2,3-b]pyridine

Sources & evidence

ORD record
ord-168f78f866e54007abb5b0d7ddb98cca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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