Sodium ion → tert-butyl{[5-(4-methyl-3-thienyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]methyl}methylcarbamate

HRID 167581

Reaction equation

HRID 167581 reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH2:16][N:17]([C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH3:25])[cH:5][n:6]1[S:7](=[O:8])(=[O:9])[c:10]1[cH:11][n:12][cH:13][cH:14][cH:15]1.[CH3:26][c:27]1[c:28]([B:32]([OH:33])[OH:34])[cH:29][s:30][cH:31]1.[CH3:41][O:42][CH2:43][CH2:44][O:45][CH3:46].[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[OH2:47].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]1>>[c:2]1(-[c:28]2[c:27]([CH3:26])[cH:31][s:30][cH:29]2)[cH:3][c:4]([CH2:16][N:17]([C:18]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[CH3:25])[cH:5][n:6]1[S:7](=[O:8])(=[O:9])[c:10]1[cH:11][n:12][cH:13][cH:14][cH:15]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 50839314-Methyl-3-thiopheneboronic acidHCID 57522258tert-Butyl {[5-bromo-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]methyl}methylcarbamateHCID 178420554HCID 178420554, compound

Product 1

HCID 66925066tert-butyl{[5-(4-methyl-3-thienyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]methyl}methylcarbamate

Sources & evidence

ORD record
ord-523aef57eaa2493a94e8d7fef59f1321
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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