Tetrahydrofuran → 6-Phenylethynyl-pyrazolo[1,5-a]pyrimidine

HRID 2152454Notes

Reaction equation

HRID 2152454 reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]2[n:6]([cH:7]1)[n:8][cH:9][cH:10]2.[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[Cu:91][I:92].[Pd:50]([Cl:51])[Cl:52].[c:11]1([C:17]#[CH:18])[cH:12][cH:13][cH:14][cH:15][cH:16]1.[c:26]1([P:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:40][cH:41][cH:42][cH:43][cH:44]1.[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68][cH:69][cH:70][cH:71]1.[c:72]1([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87][cH:88][cH:89][cH:90]1>>[c:2]1([C:18]#[C:17][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:3][n:4][c:5]2[n:6]([cH:7]1)[n:8][cH:9][cH:10]2

Participants

8

Reactant 7

HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 10821PhenylacetyleneHCID 11776Triphenylphosphine3×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 222367016-Bromopyrazolo[1,5-a]pyrimidine

Product 1

HCID 509149146-Phenylethynyl-pyrazolo[1,5-a]pyrimidine

Sources & evidence

ORD record
ord-1987a190ec2d4846b19e5bbb626eec9d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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