Potassium Cation → [5-(4-{1-ethyl-1-[3-methyl-4-(4,4,4-trifluoro-3-methoxymethoxy-3-trifluoromethyl-butyl)-phenyl]-propyl}-2-methyl-phenyl)-pyridin-3-yl]-acetic Acid Methyl Ester

HRID 206587Notes

Reaction equation

HRID 206587 reaction equation
[CH2:1]([CH3:2])[C:3]([CH2:4][CH3:5])([c:6]1[cH:7][c:8]([CH3:27])[c:9]([CH2:12][CH2:13][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.[CH3:44][O:45][C:46]([CH2:47][c:48]1[cH:49][n:50][cH:51][c:52]([Br:54])[cH:53]1)=[O:55].[K+:61].[K+:62].[K+:63].[OH2:141].[P:56]([O-:57])([O-:58])([O-:59])=[O:60].[cH:64]1[cH:65][cH:66][c:67]([P:68]([Pd:69]([P:70]([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)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([P:89]([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)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[P:108]([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)[c:133]2[cH:134][cH:135][cH:136][cH:137][cH:138]2)[cH:139][cH:140]1>>[CH2:1]([CH3:2])[C:3]([CH2:4][CH3:5])([c:6]1[cH:7][c:8]([CH3:27])[c:9]([CH2:12][CH2:13][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[cH:51][n:50][cH:49][c:48]([CH2:47][C:46]([O:45][CH3:44])=[O:55])[cH:53]2)[cH:32][cH:33]1

Participants

7

Reactant 6

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 23398394Methyl 2-(5-bromopyridin-3-yl)acetateHCID 577089172-(4-{1-Ethyl-1-[3-methyl-4-(4,4,4-trifluoro-3-methoxymethoxy-3-trifluoromethyl-butyl)-phenyl]-propyl}-2-methyl-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolaneHCID 178420554HCID 178420554, compound

Product 1

HCID 57709094[5-(4-{1-ethyl-1-[3-methyl-4-(4,4,4-trifluoro-3-methoxymethoxy-3-trifluoromethyl-butyl)-phenyl]-propyl}-2-methyl-phenyl)-pyridin-3-yl]-acetic Acid Methyl Ester

Sources & evidence

ORD record
ord-7bd98947053d435599d90354d13c5410
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…