Potassium Cation → 3-(4-(2-chloropyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopropylpropanenitrile

HRID 91254

Reaction equation

HRID 91254 reaction equation
[CH2:38]1[O:39][CH2:40][CH2:41][O:42][CH2:43]1.[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[CH:9]1([CH:12]([CH2:13][C:14]#[N:15])[n:16]2[n:17][cH:18][c:19]([B:21]3[O:22][C:23]([CH3:24])([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29]3)[cH:20]2)[CH2:10][CH2:11]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([Cl:8])[n:7]1.[K+:35].[K+:36].[K+:37].[OH2:44].[P:30]([O-:31])([O-:32])([O-:33])=[O:34].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:19]2[cH:18][n:17][n:16]([CH:12]([CH:9]3[CH2:10][CH2:11]3)[CH2:13][C:14]#[N:15])[cH:20]2)[n:7]1

Participants

9

Reactant 8

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 775312,4-DichloropyrimidineHCID 674580563-cyclopropyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanenitrileHCID 178420554HCID 178420554, compound

Product 1

HCID 866372933-(4-(2-chloropyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopropylpropanenitrile

Sources & evidence

ORD record
ord-eef93d37e4e74d02b14cce6ef96fcb0a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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