Potassium Cation → 3-(4-(2-chloro-5-methoxypyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile

HRID 148324

Reaction equation

HRID 148324 reaction equation
[CH2:42]1[O:43][CH2:44][CH2:45][O:46][CH2:47]1.[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[CH:11]1([CH:16]([CH2:17][C:18]#[N:19])[n:20]2[n:21][cH:22][c:23]([B:25]3[O:26][C:27]([CH3:28])([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33]3)[cH:24]2)[CH2:12][CH2:13][CH2:14][CH2:15]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([O:9][CH3:10])[c:6]([Cl:8])[n:7]1.[K+:39].[K+:40].[K+:41].[OH2:48].[P:34]([O-:35])([O-:36])([O-:37])=[O:38].[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([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)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[Cl:1][c:2]1[n:3][cH:4][c:5]([O:9][CH3:10])[c:6](-[c:23]2[cH:22][n:21][n:20]([CH:16]([CH:11]3[CH2:12][CH2:13][CH2:14][CH2:15]3)[CH2:17][C:18]#[N:19])[cH:24]2)[n:7]1

Participants

9

Reactant 8

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 6014012,4-Dichloro-5-methoxypyrimidineHCID 594201653-Cyclopentyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanenitrileHCID 178420554HCID 178420554, compound

Product 1

HCID 866372913-(4-(2-chloro-5-methoxypyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile

Sources & evidence

ORD record
ord-55afeaed0c53435fbb56f3fe1fd84994
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

Loading…