Sodium ion → 4-{6-butyl-5-[4-cyclohexyloxy-3-(1H-pyrazol-4-yl)-phenyl]-pyridazin-3-yloxy}-piperidine-1-carboxylic acid tert-butyl ester

HRID 701294Notes

Reaction equation

HRID 701294 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[n:16][n:17][c:18]([CH2:35][CH2:36][CH2:37][CH3:38])[c:19](-[c:21]3[cH:22][c:23]([Br:34])[c:24]([O:27][CH:28]4[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]4)[cH:25][cH:26]3)[cH:20]2)[CH2:12][CH2:13]1.[CH3:136][O:137][CH2:138][CH2:139][O:140][CH3:141].[CH3:39][C:40]1([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45][B:46]([c:47]2[cH:48][n:49][nH:50][cH:51]2)[O:52]1.[Na+:53].[Na+:54].[O-:55][C:56](=[O:57])[O-:58].[cH:59]1[cH:60][cH:61][c:62]([P:63]([Pd:64]([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[P:103]([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[cH:134][cH:135]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([O:14][c:15]2[n:16][n:17][c:18]([CH2:35][CH2:36][CH2:37][CH3:38])[c:19](-[c:21]3[cH:22][c:23](-[c:47]4[cH:48][n:49][nH:50][cH:51]4)[c:24]([O:27][CH:28]4[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]4)[cH:25][cH:26]3)[cH:20]2)[CH2:12][CH2:13]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 27740104-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 673737524-[5-(3-Bromo-4-cyclohexyloxy-phenyl)-6-butyl-pyridazin-3-yloxy]-piperidine-1-carboxylic acid tert-butyl esterHCID 178420554HCID 178420554, compound

Product 1

HCID 673731874-{6-butyl-5-[4-cyclohexyloxy-3-(1H-pyrazol-4-yl)-phenyl]-pyridazin-3-yloxy}-piperidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-384e582543064657b9f75d4abc393de2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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