Bicarbonate Ion → 3-(5-(7-(2-Fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl)pyridin-2-yloxy)-N,N-dimethylpropan-1-amine

HRID 2133877Notes

Reaction equation

HRID 2133877 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[n:5][cH:6][cH:7][c:8]([O:11][c:12]3[c:13]([F:21])[cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]3)[c:9]2[s:10]1.[C:46](=[O:47])([OH:48])[O-:49].[CH3:22][N:23]([CH2:24][CH2:25][CH2:26][O:27][c:28]1[n:29][cH:30][c:31]([B:34]2[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]2)[cH:32][cH:33]1)[CH3:43].[CH3:51][O:52][CH2:53][CH2:54][O:55][CH3:56].[Cs+:45].[F-:44].[Na+: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:2]1(-[c:31]2[cH:30][n:29][c:28]([O:27][CH2:26][CH2:25][CH2:24][N:23]([CH3:22])[CH3:43])[cH:33][cH:32]2)[cH:3][c:4]2[n:5][cH:6][cH:7][c:8]([O:11][c:12]3[c:13]([F:21])[cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]3)[c:9]2[s:10]1

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 28179Fluoride IonHCID 104967Cesium cationHCID 17998906N,N-Dimethyl-3-((5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)oxy)propan-1-amineHCID 594245212-Bromo-7-(2-fluoro-4-nitrophenoxy)thieno[3,2-b]pyridineHCID 178420554HCID 178420554, compound

Product 1

HCID 587903463-(5-(7-(2-Fluoro-4-nitrophenoxy)thieno[3,2-b]pyridin-2-yl)pyridin-2-yloxy)-N,N-dimethylpropan-1-amine

Sources & evidence

ORD record
ord-07c703307f1b435583a5b3376f788ef1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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