Sodium ion → 1-benzenesulfonyl-2-[2-cyclopentyl-1-(4-methanesulfonyl-phenyl)-vinyl]-1H-pyrrolo[2,3-b]pyridin-5-carboxylic acid methyl ester

HRID 211539Notes

Reaction equation

HRID 211539 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([n:9][cH:10]1)[n:11]([S:32](=[O:33])(=[O:34])[c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[c:12]([C:14](=[CH:15][CH:16]1[CH2:17][CH2:18][CH2:19][CH2:20]1)[O:21][S:22]([c:23]1[cH:24][cH:25][c:26]([CH3:27])[cH:28][cH:29]1)(=[O:30])=[O:31])[cH:13]2.[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: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>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([n:9][cH:10]1)[n:11]([S:32](=[O:33])(=[O:34])[c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[c:12]([C:14](=[CH:15][CH:16]1[CH2:17][CH2:18][CH2:19][CH2:20]1)[c:48]1[cH:47][cH:46][c:45]([S:42]([CH3:41])(=[O:43])=[O:44])[cH:50][cH:49]1)[cH:13]2

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 312751,4-DioxaneHCID 27343644-(Methanesulfonyl)phenylboronic acidHCID 866544971-benzenesulfonyl-2-[2-cyclopentyl-1-(toluene-4-sulfonyloxy)-vinyl]-1H-pyrrolo[2,3-b]pyridin-5-carboxylic acid methyl ester

Product 1

HCID 672294971-benzenesulfonyl-2-[2-cyclopentyl-1-(4-methanesulfonyl-phenyl)-vinyl]-1H-pyrrolo[2,3-b]pyridin-5-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-57b8cac7faca437ba8e42e914e358243
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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