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Acetate → 3,5-Bis(trifluoromethyl)cinnamonitrile

HRID 97239
Notes
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Reaction equation

HRID 97239 reaction equation
[C:49]([O-:50])(=[O:51])[CH3:52].[C:54]([O-:55])(=[O:56])[CH3:57].[CH2:1]=[CH:2][C:3]#[N:4].[CH3:59][C:60]([N:61]([CH3:62])[CH3:63])=[O:64].[CH:35]1([CH:36]([NH2:37])[CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]1.[F:20][C:21]([c:22]1[cH:23][c:24]([Cl:32])[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:33])[F:34].[OH2:58].[Pd+2:53].[c:5]1([P:6]([C:7]([CH3:8])([CH3:9])[CH3:10])[C:11]([CH3:12])([CH3:13])[CH3:14])[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[CH:1](=[CH:2][C:3]#[N:4])[c:24]1[cH:23][c:22]([C:21]([F:20])([F:33])[F:34])[cH:27][c:26]([C:28]([F:29])([F:30])[F:31])[cH:25]1
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 175Acetate2×HCID 962WaterHCID 7855AcrylonitrileHCID 31374DimethylacetamideHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 316378Di-tert-butylphenylphosphine
HCID 2769405
3,5-Bis(trifluoromethyl)chlorobenzene
HCID 10774245alpha-Cyclohexylcyclohexanemethanamine

Product 1

HCID 27361763,5-Bis(trifluoromethyl)cinnamonitrile

Sources & evidence

ORD record
ord-ef8c9af655c34bd795e3f287834ee260
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes