Potassium Cation → Ethyl 2-[2-[2-methyl-4-[3-[3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-enyl]phenyl]pentan-3-yl]phenyl]-1,3-thiazol-4-yl]acetate

HRID 182594Notes

Reaction equation

HRID 182594 reaction equation
[CH2:1]([CH3:2])[C:3]([CH2:4][CH3:5])([c:6]1[cH:7][c:8]([CH3:21])[c:9]([B:12]2[O:13][C:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[O:20]2)[cH:10][cH:11]1)[c:22]1[cH:23][c:24]([CH3:40])[c:25]([CH:28]=[CH:29][C:30]([C:31]([F:32])([F:33])[F:34])([OH:35])[C:36]([F:37])([F:38])[F:39])[cH:26][cH:27]1.[CH2:41]([CH3:42])[O:43][C:44]([CH2:45][c:46]1[n:47][c:48]([Br:51])[s:49][cH:50]1)=[O:52].[K+:58].[K+:59].[K+:60].[OH2:138].[P:53]([O-:54])([O-:55])([O-:56])=[O:57].[cH:61]1[cH:62][cH:63][c:64]([P:65]([Pd:66]([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)([c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[cH:136][cH:137]1>>[CH2:1]([CH3:2])[C:3]([CH2:4][CH3:5])([c:6]1[cH:7][c:8]([CH3:21])[c:9](-[c:48]2[n:47][c:46]([CH2:45][C:44]([O:43][CH2:41][CH3:42])=[O:52])[cH:50][s:49]2)[cH:10][cH:11]1)[c:22]1[cH:23][c:24]([CH3:40])[c:25]([CH:28]=[CH:29][C:30]([C:31]([F:32])([F:33])[F:34])([OH:35])[C:36]([F:37])([F:38])[F:39])[cH:26][cH:27]1

Participants

7

Reactant 6

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 53428667Ethyl 2-(2-bromo-1,3-thiazol-4-yl)acetateHCID 765996721,1,1-Trifluoro-4-[2-methyl-4-[3-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pentan-3-yl]phenyl]-2-(trifluoromethyl)but-3-en-2-olHCID 178420554HCID 178420554, compound

Product 1

HCID 76545466Ethyl 2-[2-[2-methyl-4-[3-[3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-enyl]phenyl]pentan-3-yl]phenyl]-1,3-thiazol-4-yl]acetate

Sources & evidence

ORD record
ord-61a10d5b53754f66b9223c37bba134b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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