Acetate → 4-(2-chloroethenyl)-1,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole

HRID 163246

Reaction equation

HRID 163246 reaction equation
[Br-:53].[Br:1][c:2]1[c:3]([C:9]([F:10])([F:11])[F:12])[n:4][n:5]([CH3:8])[c:6]1[CH3:7].[C:13]([P:14]([C:15]([CH3:16])([CH3:17])[CH3:18])[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)([CH3:25])([CH3:26])[CH3:27].[C:71]([O-:72])(=[O:73])[CH3:74].[C:76]([O-:77])(=[O:78])[CH3:79].[CH3:54][CH2:55][CH2:56][CH2:57][N+:58]([CH2:59][CH2:60][CH2:61][CH3:62])([CH2:63][CH2:64][CH2:65][CH3:66])[CH2:67][CH2:68][CH2:69][CH3:70].[CH3:80][C:81]([N:82]([CH3:83])[CH3:84])=[O:85].[CH:36]1([CH:37]([NH2:38])[CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]1.[CH:50](=[CH2:51])[Cl:52].[OH:28][c:29]1[cH:30][cH:31][c:32]([OH:33])[cH:34][cH:35]1.[Pd+2:75]>>[c:2]1([CH:51]=[CH:50][Cl:52])[c:3]([C:9]([F:10])([F:11])[F:12])[n:4][n:5]([CH3:8])[c:6]1[CH3:7]

Participants

11

Reactant 10

HCID 175Acetate2×HCID 259Bromide ionHCID 785HydroquinoneHCID 6338Vinyl ChlorideHCID 16028TetrabutylammoniumHCID 31374DimethylacetamideHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 316378Di-tert-butylphenylphosphineHCID 10774245alpha-CyclohexylcyclohexanemethanamineHCID 118590454-Bromo-1,5-Dimethyl-3-(Trifluoromethyl)-1H-Pyrazole

Product 1

HCID 851512404-(2-chloroethenyl)-1,5-dimethyl-3-(trifluoromethyl)-1H-pyrazole

Sources & evidence

ORD record
ord-24387d6aacc6447199649a277a6fc54f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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