Acetonitrile → 2-Methyl-2-{2-methyl-4-[5-(5-trifluoromethyl-pyridin-2-yl)-pent-4-ynyloxy]-phenoxy}-propionic acid ethyl ester

HRID 97826Notes

Reaction equation

HRID 97826 reaction equation
[Br:23][c:24]1[n:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]1.[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([O:7][c:8]1[c:9]([CH3:20])[cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][C:18]#[CH:19])[cH:12][cH:13]1)[CH3:21])=[O:22].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:41][C:42]#[N:43].[Cu:85][I:86].[Pd:44]([Cl:45])[Cl:46].[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([O:7][c:8]1[c:9]([CH3:20])[cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][C:18]#[C:19][c:24]2[n:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]2)[cH:12][cH:13]1)[CH3:21])=[O:22]

Participants

8

Reactant 7

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 27364342-Bromo-5-(trifluoromethyl)pyridineHCID 866025402-Methyl-2-(2-methyl-4-pent-4-ynyloxy-phenoxy)-propionic acid ethyl ester

Product 1

HCID 694591772-Methyl-2-{2-methyl-4-[5-(5-trifluoromethyl-pyridin-2-yl)-pent-4-ynyloxy]-phenoxy}-propionic acid ethyl ester

Sources & evidence

ORD record
ord-e11426c71ba543169982ef2cdabe6913
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…