Potassium Cation → [6-(4-{1-ethyl-1-[3-methyl-4-(4,4,4-trifluoro-3-methoxymethoxy-3-trifluoromethyl-1-butynyl)-phenyl]-propyl}-2-methyl-phenyl)-pyridin-3-yl]-acetic Acid Ethyl Ester

HRID 192346Notes

Reaction equation

HRID 192346 reaction equation
[CH2:1]([CH3:2])[C:3]([CH2:4][CH3:5])([c:6]1[cH:7][c:8]([CH3:27])[c:9]([C:12]#[C:13][C:14]([C:15]([F:16])([F:17])[F:18])([C:19]([F:20])([F:21])[F:22])[O:23][CH2:24][O:25][CH3:26])[cH:10][cH:11]1)[c:28]1[cH:29][c:30]([CH3:43])[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.[CH2:44]([CH3:45])[O:46][C:47]([CH2:48][c:49]1[cH:50][n:51][c:52]([Br:55])[cH:53][cH:54]1)=[O:56].[CH3:142][N:143]([CH3:144])[CH:145]=[O:146].[K+:62].[K+:63].[K+:64].[P:57]([O-:58])([O-:59])([O-:60])=[O:61].[cH:65]1[cH:66][cH:67][c:68]([P:69]([Pd:70]([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[P:109]([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)([c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[cH:140][cH:141]1>>[CH2:1]([CH3:2])[C:3]([CH2:4][CH3:5])([c:6]1[cH:7][c:8]([CH3:27])[c:9]([C:12]#[C:13][C:14]([C:15]([F:16])([F:17])[F:18])([C:19]([F:20])([F:21])[F:22])[O:23][CH2:24][O:25][CH3:26])[cH:10][cH:11]1)[c:28]1[cH:29][c:30]([CH3:43])[c:31](-[c:52]2[n:51][cH:50][c:49]([CH2:48][C:47]([O:46][CH2:44][CH3:45])=[O:56])[cH:54][cH:53]2)[cH:32][cH:33]1

Participants

7

Reactant 6

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 6228DimethylformamideHCID 57443504Ethyl 2-(6-bromopyridin-3-yl)acetateHCID 577089482-(4-{1-Ethyl-1-[3-methyl-4-(4,4,4-trifluoro-3-methoxymethoxy-3-trifluoromethyl-1-butynyl)-phenyl]-propyl}-2-methyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolaneHCID 178420554HCID 178420554, compound

Product 1

HCID 57709046[6-(4-{1-ethyl-1-[3-methyl-4-(4,4,4-trifluoro-3-methoxymethoxy-3-trifluoromethyl-1-butynyl)-phenyl]-propyl}-2-methyl-phenyl)-pyridin-3-yl]-acetic Acid Ethyl Ester

Sources & evidence

ORD record
ord-8fb09c07b1f5419683bdc4eb50682e13
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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