Potassium Cation → Methyl 4-(2-fluoro-5-methoxyphenyl)-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)benzoate

HRID 1141296Notes

Reaction equation

HRID 1141296 reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[CH3:26][C:27]12[C:28]([B:36]([OH:37])[OH:38])=[CH:29][CH:30]([CH2:31][CH2:32]1)[C:33]2([CH3:34])[CH3:35].[F:1][c:2]1[c:3](-[c:10]2[c:11]([I:20])[cH:12][c:13]([C:16](=[O:17])[O:18][CH3:19])[cH:14][cH:15]2)[cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1.[K+:43].[K+:44].[O:21]=[CH:22][N:23]([CH3:24])[CH3:25].[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([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)([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)([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)[cH:120][cH:121]1>>[F:1][c:2]1[c:3](-[c:10]2[c:11]([C:28]3=[CH:29][CH:30]4[CH2:31][CH2:32][C:27]3([CH3:26])[C:33]4([CH3:34])[CH3:35])[cH:12][c:13]([C:16](=[O:17])[O:18][CH3:19])[cH:14][cH:15]2)[cH:4][c:5]([O:8][CH3:9])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 53395463D(+)-2-{1,7,7-Trimethylbicyclo[2.2.1]hept-2-EN-2-YL-boronic acidHCID 57705628Methyl 2'-fluoro-2-iodo-5'-(methyloxy)-1,1'-biphenyl-4-carboxylateHCID 178420554HCID 178420554, compound

Product 1

HCID 76599009Methyl 4-(2-fluoro-5-methoxyphenyl)-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl)benzoate

Sources & evidence

ORD record
ord-edd2a8957b2349d99a83263fd5629e87
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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