Sodium ion → tert-butyl({5-[4-(difluoromethoxy)phenyl]-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl}methyl)methylcarbamate
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH2:9][c:10]1[cH:11][n:12]([S:16](=[O:17])(=[O:18])[c:19]2[cH:20][n:21][cH:22][cH:23][cH:24]2)[c:13]([Br:15])[cH:14]1)=[O:25].[CH2:51]([CH2:52][O:53][CH3:54])[O:55][CH3:56].[F:26][CH:27]([O:28][c:29]1[cH:30][cH:31][c:32]([B:35]2[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]2)[cH:33][cH:34]1)[F:44].[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50].[OH2:57].[cH:58]1[cH:59][cH:60][c:61]([P:62]([Pd:63]([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([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)([P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([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)[P:102]([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)([c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[cH:133][cH:134]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH3:8])[CH2:9][c:10]1[cH:11][n:12]([S:16](=[O:17])(=[O:18])[c:19]2[cH:20][n:21][cH:22][cH:23][cH:24]2)[c:13](-[c:32]2[cH:31][cH:30][c:29]([O:28][CH:27]([F:26])[F:44])[cH:34][cH:33]2)[cH:14]1)=[O:25]Participants
8
Reactant 7
HCID 923Sodium ion2×
HCID 962Water
HCID 80711,2-Dimethoxyethane
HCID 19660Carbonate Ion
HCID 220323032-(4-(Difluoromethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
HCID 57522258tert-Butyl {[5-bromo-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]methyl}methylcarbamate
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-153e5e3e6c354579a5578f073ee8f0cd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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