Potassium Cation → 4-(4-{5-[2-(5-Chloro-2-fluoro-phenyl)-[1,8]naphthyridin-4-yl]-pyridin-3-yl}-pyrazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester

HRID 2343666Notes

Reaction equation

HRID 2343666 reaction equation
[Br:1][c:2]1[cH:3][c:4](-[c:8]2[cH:9][c:10](-[c:18]3[c:19]([F:25])[cH:20][cH:21][c:22]([Cl:24])[cH:23]3)[n:11][c:12]3[n:13][cH:14][cH:15][cH:16][c:17]23)[cH:5][n:6][cH:7]1.[C:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31](=[O:32])[N:33]1[CH2:34][CH2:35][CH:36]([n:39]2[n:40][cH:41][c:42]([B:44]3[O:45][C:46]([CH3:47])([CH3:48])[C:49]([CH3:50])([CH3:51])[O:52]3)[cH:43]2)[CH2:37][CH2:38]1.[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[CH3:71][O:72][CH2:73][CH2:74][O:75][CH3:76].[K+:61].[K+:62].[K+:63].[OH2:53].[OH2:54].[OH2:55].[P:56]([O-:57])([O-:58])([O-:59])=[O:60].[Pd:77]([Cl:78])[Cl:79].[c:80]1([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[cH:94][cH:95][cH:96][cH:97][cH:98]1.[c:99]1([P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114][cH:115][cH:116][cH:117]1>>[c:2]1(-[c:42]2[cH:41][n:40][n:39]([CH:36]3[CH2:35][CH2:34][N:33]([C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:32])[CH2:38][CH2:37]3)[cH:43]2)[cH:3][c:4](-[c:8]2[cH:9][c:10](-[c:18]3[c:19]([F:25])[cH:20][cH:21][c:22]([Cl:24])[cH:23]3)[n:11][c:12]3[n:13][cH:14][cH:15][cH:16][c:17]23)[cH:5][n:6][cH:7]1

Participants

10

Reactant 9

HCID 813Potassium Cation3×HCID 962Water3×HCID 1061PhosphateHCID 80711,2-DimethoxyethaneHCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 45480279tert-butyl 4-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]piperidine-1-carboxylateHCID 673643764-(5-Bromo-pyridin-3-yl)-2-(5-chloro-2-fluoro-phenyl)-[1,8]naphthyridine

Product 1

HCID 673632894-(4-{5-[2-(5-Chloro-2-fluoro-phenyl)-[1,8]naphthyridin-4-yl]-pyridin-3-yl}-pyrazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-08f5deee5c2d4662b7e8515e0c1475b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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