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

HRID 140918Notes

Reaction equation

HRID 140918 reaction equation
[CH3:38][O:39][C:40]([c:41]1[c:42]([F:56])[cH:43][c:44]([B:47]2[O:48][C:49]([CH3:50])([CH3:51])[C:52]([CH3:53])([CH3:54])[O:55]2)[cH:45][cH:46]1)=[O:57].[Na+:58].[Na+:59].[O-:60][C:61](=[O:62])[O-:63].[O:64]1[CH2:65][CH2:66][O:67][CH2:68][CH2:69]1.[Pd:70]([Cl:71])[Cl:72].[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]([CH3:19])[cH:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:73]1([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[cH:87][cH:88][cH:89][cH:90][cH:91]1.[c:92]1([P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[cH:106][cH:107][cH:108][cH:109][cH:110]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:44]3[cH:43][c:42]([F:56])[c:41]([C:40]([O:39][CH3:38])=[O:57])[cH:46][cH:45]3)[cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([CH3:19])[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 221715283-Fluoro-4-methoxycarbonylphenylboronic acid, pinacol esterHCID 86654520toluene-4-sulfonic acid 1-(1-benzenesulfonyl-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-cyclopentyl-vinyl ester

Product 1

HCID 672291634-[1-(1-benzenesulfonyl-5-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-cyclopentyl-vinyl]-2-fluoro-benzoic acid methyl ester

Sources & evidence

ORD record
ord-c66a99be92d449a08ae78d1fe3ffa079
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…