Potassium Cation → Methyl 5'-(difluoromethyl)-2-(5,5-dimethyl-1-cyclopenten-1-yl)-2'-fluoro-1,1'-biphenyl-4-carboxylate

HRID 185116Notes

Reaction equation

HRID 185116 reaction equation
[C:26](=[O:27])([O-:28])[O-:29].[CH3:1][C:2]1([CH3:25])[CH2:3][CH2:4][CH:5]=[C:6]1[c:7]1[cH:8][c:9]([C:10](=[O:11])[O:12][CH3:13])[cH:14][cH:15][c:16]1[O:17][S:18]([C:19]([F:20])([F:21])[F:22])(=[O:23])=[O:24].[F:32][CH:33]([c:34]1[cH:35][cH:36][c:37]([F:49])[c:38]([B:40]2[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]2)[cH:39]1)[F:50].[K+:30].[K+:31].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH2:56].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([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)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([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)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([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)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1>>[CH3:1][C:2]1([CH3:25])[CH2:3][CH2:4][CH:5]=[C:6]1[c:7]1[cH:8][c:9]([C:10](=[O:11])[O:12][CH3:13])[cH:14][cH:15][c:16]1-[c:38]1[c:37]([F:49])[cH:36][cH:35][c:34]([CH:33]([F:32])[F:50])[cH:39]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 57467618Methyl 3-(5,5-dimethylcyclopent-1-enyl)-4-(trifluoromethylsulfonyloxy)benzoateHCID 574676372-(5-(difluoroMethyl)-2-fluorophenyl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolaneHCID 178420554HCID 178420554, compound

Product 1

HCID 57705519Methyl 5'-(difluoromethyl)-2-(5,5-dimethyl-1-cyclopenten-1-yl)-2'-fluoro-1,1'-biphenyl-4-carboxylate

Sources & evidence

ORD record
ord-8ccae19339a9463c8f1974ff1b07424a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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