Acetate → 3-[3-(5-Isopropyl-2,6-dimethoxy-pyrimidine-4-carbonyl)-5-methyl-phenyl]-acrylonitrile

HRID 106289Notes

Reaction equation

HRID 106289 reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:9](=[O:10])[c:11]2[n:12][c:13]([O:22][CH3:23])[n:14][c:15]([O:20][CH3:21])[c:16]2[CH:17]([CH3:18])[CH3:19])[cH:5][c:6]([CH3:8])[cH:7]1.[C:44]([O-:45])(=[O:46])[CH3:47].[C:49]([O-:50])(=[O:51])[CH3:52].[CH2:29]=[CH:30][C:31]#[N:32].[CH3:25][C:26](=[O:27])[O-:28].[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[Na+:24].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[Pd+2:48].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[c:2]1([CH:29]=[CH:30][C:31]#[N:32])[cH:3][c:4]([C:9](=[O:10])[c:11]2[n:12][c:13]([O:22][CH3:23])[n:14][c:15]([O:20][CH3:21])[c:16]2[CH:17]([CH3:18])[CH3:19])[cH:5][c:6]([CH3:8])[cH:7]1

Participants

9

Reactant 8

HCID 175Acetate3×HCID 923Sodium ionHCID 6228DimethylformamideHCID 7855AcrylonitrileHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 59686860(3-Bromo-5-methyl-phenyl)-(5-isopropyl-2,6-dimethoxy-pyrimidin-4-yl)-methanoneHCID 178420554HCID 178420554, compound

Product 1

HCID 667055443-[3-(5-Isopropyl-2,6-dimethoxy-pyrimidine-4-carbonyl)-5-methyl-phenyl]-acrylonitrile

Sources & evidence

ORD record
ord-446833b64e84451a855e0aa6d892ac08
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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