Triethylamine → 5-(3-Trifluoromethoxyphenylethynyl)-nicotinonitrile

HRID 1130676Notes

Reaction equation

HRID 1130676 reaction equation
[Br:8][c:9]1[cH:10][n:11][cH:12][c:13]([C:14]#[N:15])[cH:16]1.[C:17](#[CH:18])[c:19]1[cH:20][c:21]([O:25][C:26]([F:27])([F:28])[F:29])[cH:22][cH:23][cH:24]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:30][CH2:31][O:32][C:33](=[O:34])[CH3:35].[Cu:36][I:37].[Pd:38]([Cl:39])[Cl:40].[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1>>[c:9]1([C:18]#[C:17][c:19]2[cH:20][c:21]([O:25][C:26]([F:27])([F:28])[F:29])[cH:22][cH:23][cH:24]2)[cH:10][n:11][cH:12][c:13]([C:14]#[N:15])[cH:16]1

Participants

8

Reactant 7

HCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 7367935-BromonicotinonitrileHCID 269862623-(Trifluoromethoxy)Phenylacetylene

Product 1

HCID 670475485-(3-Trifluoromethoxyphenylethynyl)-nicotinonitrile

Sources & evidence

ORD record
ord-365a34c5699045bd98142c9ed7a34a15
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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