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

HRID 293345
Notes
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Reaction equation

HRID 293345 reaction equation
[Br-:54].[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:72]([O-:73])(=[O:74])[CH3:75].[C:77]([O-:78])(=[O:79])[CH3:80].[CH2:55]([N+:56]([CH2:57][CH2:58][CH2:59][CH3:60])([CH2:61][CH2:62][CH2:63][CH3:64])[CH2:65][CH2:66][CH2:67][CH3:68])[CH2:69][CH2:70][CH3:71].[CH3:81][C:82]([N:83]([CH3:84])[CH3:85])=[O:86].[CH:28]1([CH:29]([NH2:30])[CH:31]2[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2)[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]1.[CH:50](=[CH2:51])[Cl:52].[ClH:53].[OH:42][c:43]1[cH:44][cH:45][c:46]([OH:47])[cH:48][cH:49]1.[Pd+2:76]>>[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]
ParticipantsSources & evidenceReaction notes

Participants

12

Reactant 11

HCID 175Acetate2×HCID 259Bromide ionHCID 313Hydrochloric AcidHCID 785HydroquinoneHCID 6338Vinyl ChlorideHCID 16028TetrabutylammoniumHCID 31374Dimethylacetamide
HCID 105144
Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 316378Di-tert-butylphenylphosphine
HCID 10774245alpha-Cyclohexylcyclohexanemethanamine
HCID 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-e368668b1b4348eea35a68038ef4651f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes