Sodium ion → tert-butyl 4-{2-[4-(2-chloro-5-methoxypyrimidin-4-yl)-1H-pyrazol-1-yl]-3-cyanopropyl}piperidine-1-carboxylate

HRID 2335374Notes

Reaction equation

HRID 2335374 reaction equation
[C:11](#[N:12])[CH2:13][CH:14]([CH2:15][CH:16]1[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]1)[n:29]1[n:30][cH:31][c:32]([B:34]2[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]2)[cH:33]1.[CH2:43]1[O:44][CH2:45][CH2:46][O:47][CH2:48]1.[CH3:56][CH2:57][O:58][C:59]([CH3:60])=[O:61].[Cl:1][c:2]1[n:3][cH:4][c:5]([O:9][CH3:10])[c:6]([Cl:8])[n:7]1.[Na+:49].[Na+:50].[O-:51][C:52](=[O:53])[O-:54].[OH2:55].[cH:62]1[cH:63][cH:64][c:65]([P:66]([Pd:67]([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[P:106]([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)([c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[cH:137][cH:138]1>>[Cl:1][c:2]1[n:3][cH:4][c:5]([O:9][CH3:10])[c:6](-[c:32]2[cH:31][n:30][n:29]([CH:14]([CH2:13][C:11]#[N:12])[CH2:15][CH:16]3[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]3)[cH:33]2)[n:7]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 6014012,4-Dichloro-5-methoxypyrimidineHCID 68753948tert-butyl 4-(3-cyano-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propyl)piperidine-1-carboxylateHCID 178420554HCID 178420554, compound

Product 1

HCID 86637304tert-butyl 4-{2-[4-(2-chloro-5-methoxypyrimidin-4-yl)-1H-pyrazol-1-yl]-3-cyanopropyl}piperidine-1-carboxylate

Sources & evidence

ORD record
ord-c32918c453af46cf9d9779d1ab02928c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…