Bicarbonate Ion → methyl 6-cyclohexyl-5-(3-nitro-2-[2-(tetrahydropyran-2-yloxy)ethoxy]phenyl}-4H-thieno[3,2-b]pyrrole-2-carboxylate
Reaction equation
[Br:1][c:2]1[c:3]([O:4][CH2:5][CH2:6][O:7][CH:8]2[O:9][CH2:10][CH2:11][CH2:12][CH2:13]2)[c:14]([N+:18](=[O:19])[O-:20])[cH:15][cH:16][cH:17]1.[C:21](=[O:22])([O-:23])[OH:24].[CH3:54][O:55][CH2:56][CH2:57][O:58][CH3:59].[CH:26]1([c:32]2[c:33]3[c:34]([nH:35][c:36]2[B:37]2[O:38][C:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45]2)[cH:46][c:47]([C:49](=[O:50])[O:51][CH3:52])[s:48]3)[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]1.[Na+:25].[OH2:53].[cH:60]1[cH:61][cH:62][c:63]([P:64]([Pd:65]([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[P:104]([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)([c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[cH:135][cH:136]1>>[c:2]1(-[c:36]2[c:32]([CH:26]3[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]3)[c:33]3[c:34]([nH:35]2)[cH:46][c:47]([C:49](=[O:50])[O:51][CH3:52])[s:48]3)[c:3]([O:4][CH2:5][CH2:6][O:7][CH:8]2[O:9][CH2:10][CH2:11][CH2:12][CH2:13]2)[c:14]([N+:18](=[O:19])[O-:20])[cH:15][cH:16][cH:17]1Participants
8
Reactant 7
HCID 769Bicarbonate Ion
HCID 923Sodium ion
HCID 962Water
HCID 80711,2-Dimethoxyethane
HCID 58679063methyl 6-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4H-thieno[3,2-b]pyrrole-2-carboxylate
HCID 591656922-[2-(2-Bromo-6-nitrophenoxy)ethoxy]tetrahydropyran
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-5de8e0433c2b466c966d8a81983dda7f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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