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

HRID 104645

Reaction equation

HRID 104645 reaction equation
[Br:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([C:10]([F:11])([F:12])[F:13])[cH:8][cH:9]1.[C:37](=[O:38])([O-:39])[O-:40].[CH2:14]([CH3:15])[O:16][C:17]([CH2:18][c:19]1[cH:20][c:21]([B:27]2[O:28][C:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35]2)[c:22]([O:25][CH3:26])[cH:23][cH:24]1)=[O:36].[CH3:43][O:44][CH2:45][CH2:46][O:47][CH3:48].[K+:41].[K+:42].[OH2:49].[cH:50]1[cH:51][cH:52][c:53]([P:54]([Pd:55]([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[cH:125][cH:126]1>>[c:2]1(-[c:21]2[cH:20][c:19]([CH2:18][C:17]([O:16][CH2:14][CH3:15])=[O:36])[cH:24][cH:23][c:22]2[O:25][CH3:26])[c:3]([C:4]#[N:5])[cH:6][c:7]([C:10]([F:11])([F:12])[F:13])[cH:8][cH:9]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 122239802-Bromo-5-(trifluoromethyl)benzonitrileHCID 58120060[4-Methoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-acetic acid ethyl esterHCID 178420554HCID 178420554, compound

Product 1

HCID 66607045(2'-Cyano-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl)-acetic acid ethyl ester

Sources & evidence

ORD record
ord-08e9bf21736f464ead8217f6a94169b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

Loading…