Potassium Cation → tert-butyl 4-(4-(2-chloropyrimidin-4-yl)-1H-pyrazol-1-yl)-4-(cyanomethyl)piperidine-1-carboxylate
Reaction equation
[C:9](#[N:10])[CH2:11][C:12]1([n:25]2[n:26][cH:27][c:28]([B:30]3[O:31][C:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38]3)[cH:29]2)[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]1.[CH2:47]1[O:48][CH2:49][CH2:50][O:51][CH2:52]1.[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([Cl:8])[n:7]1.[K+:44].[K+:45].[K+:46].[OH2:53].[P:39]([O-:40])([O-:41])([O-:42])=[O:43].[cH:60]1[cH:61][cH:62][c:63]([P:64]([Pd:65]([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[P:104]([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)([c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[cH:135][cH:136]1>>[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:28]2[cH:27][n:26][n:25]([C:12]3([CH2:11][C:9]#[N:10])[CH2:13][CH2:14][N:15]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:16][CH2:17]3)[cH:29]2)[n:7]1Participants
9
Reactant 8
HCID 813Potassium Cation3×
HCID 962Water
HCID 1061Phosphate
HCID 8857Ethyl Acetate
HCID 312751,4-Dioxane
HCID 775312,4-Dichloropyrimidine
HCID 68755373tert-butyl 4-(cyanomethyl)-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)piperidine-1-carboxylate
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-3a4ae56b3b7a478799b4b550c7f6dae5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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