Potassium Cation → (2'-Formyl-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl)-acetic acid methyl ester

HRID 88299

Reaction equation

HRID 88299 reaction equation
[Br:23][c:24]1[c:25]([CH:26]=[O:27])[cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]1.[C:36](=[O:37])([O-:38])[O-:39].[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([B:13]2[O:14][C:15]([CH3:16])([CH3:17])[C:18]([CH3:19])([CH3:20])[O:21]2)[c:8]([O:11][CH3:12])[cH:9][cH:10]1)=[O:22].[CH3:45][O:46][CH2:47][CH2:48][O:49][CH3:50].[Cl:42][CH2:43][Cl:44].[K+:40].[K+:41].[OH2:128].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([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)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([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)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7](-[c:24]2[c:25]([CH:26]=[O:27])[cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]2)[c:8]([O:11][CH3:12])[cH:9][cH:10]1)=[O:22]

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 962WaterHCID 6344DichloromethaneHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 70180472-Bromo-5-(trifluoromethyl)benzaldehydeHCID 57576289Methyl 2-(4-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl)acetateHCID 178420554HCID 178420554, compound

Product 1

HCID 86633167(2'-Formyl-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl)-acetic acid methyl ester

Sources & evidence

ORD record
ord-09a6a7d365004e7491aaa2eda57de001
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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