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

HRID 663995Notes

Reaction equation

HRID 663995 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:38]([O-:39])(=[O:40])[CH3:41].[C:43]([O-:44])(=[O:45])[CH3:46].[CH2:29]=[CH:30][C:31]#[N:32].[CH3:25][C:26](=[O:27])[O-:28].[Na+:24].[O:33]=[CH:34][N:35]([CH3:36])[CH3:37].[Pd+2:42].[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([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)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([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)[P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([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)[cH:122][cH:123]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

8

Reactant 7

HCID 175Acetate3×HCID 923Sodium ionHCID 6228DimethylformamideHCID 7855AcrylonitrileHCID 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-3644a06ea354438dab841fdfde58a47c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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