Sodium ion → {1-benzenesulfonyl-2-[2-cyclopentyl-1-(4-methanesulfonyl-phenyl)-vinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-carbamic acid tert-butyl ester

HRID 213011Notes

Reaction equation

HRID 213011 reaction equation
[CH3:45][S:46](=[O:47])(=[O:48])[c:49]1[cH:50][cH:51][c:52]([B:55]([OH:56])[OH:57])[cH:53][cH:54]1.[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:27](=[CH:28][CH:29]3[CH2:30][CH2:31][CH2:32][CH2:33]3)[O:34][S:35]([c:36]3[cH:37][cH:38][c:39]([CH3:40])[cH:41][cH:42]3)(=[O:43])=[O:44])[cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[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:27](=[CH:28][CH:29]3[CH2:30][CH2:31][CH2:32][CH2:33]3)[c:52]3[cH:51][cH:50][c:49]([S:46]([CH3:45])(=[O:47])=[O:48])[cH:54][cH:53]3)[cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[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 86654515toluene-4-sulfonic acid 1-(1-benzenesulfonyl-5-tert-butoxycarbonylamino-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-cyclopentyl-vinyl ester

Product 1

HCID 67228047{1-benzenesulfonyl-2-[2-cyclopentyl-1-(4-methanesulfonyl-phenyl)-vinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-a1a9ebacc7bd4c19b77d7c8664d649fb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…