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

HRID 2320842Notes

Reaction equation

HRID 2320842 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:30](=[O:31])(=[O:32])[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[c:12]([C:14](=[CH:15][CH:16]([CH3:17])[CH3:18])[O:19][S:20]([c:21]1[cH:22][cH:23][c:24]([CH3:25])[cH:26][cH:27]1)(=[O:28])=[O:29])[cH:13]2.[CH3:39][S:40](=[O:41])(=[O:42])[c:43]1[cH:44][cH:45][c:46]([B:49]([OH:50])[OH:51])[cH:47][cH:48]1.[Na+:52].[Na+:53].[O-:54][C:55](=[O:56])[O-:57].[O:58]1[CH2:59][CH2:60][O:61][CH2:62][CH2:63]1.[Pd:64]([Cl:65])[Cl:66].[c:67]1([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1.[c:86]1([P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[cH:100][cH:101][cH:102][cH:103][cH:104]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:30](=[O:31])(=[O:32])[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[c:12]([C:14](=[CH:15][CH:16]([CH3:17])[CH3:18])[c:46]1[cH:45][cH:44][c:43]([S:40]([CH3:39])(=[O:41])=[O:42])[cH:48][cH:47]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 866544961-benzenesulfonyl-2-[3-methyl-1-(toluene-4-sulfonyloxy)-but-1-enyl]-1H-pyrrolo[2,3-b]pyridin-5-carboxylic acid methyl ester

Product 1

HCID 672288091-benzenesulfonyl-2-[1-(4-methanesulfonyl-phenyl)-3-methyl-but-1-enyl]-1H-pyrrolo[2,3-b]pyridin-5-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-a2df5a0a4a2a421d81e4ceb23a5bf325
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…