Potassium Cation → 2-(5-chloro-2-fluoro-phenyl)-4-{6-[1-(2-pyrrolidin-1-yl-ethyl)-1H-pyrazol-4-yl]-pyrazin-2-yl}-[1,8]naphthyridine

HRID 2125228Notes

Reaction equation

HRID 2125228 reaction equation
[CH3:58][CH2:59][N:60]([CH2:61][CH3:62])[CH2:63][CH3:64].[CH3:65][O:66][CH2:67][CH2:68][O:69][CH3:70].[Cl:1][c:2]1[cH:3][cH:4][c:5]([F:25])[c:6](-[c:8]2[n:9][c:10]3[n:11][cH:12][cH:13][cH:14][c:15]3[c:16](-[c:18]3[n:19][c:20]([Cl:24])[cH:21][n:22][cH:23]3)[cH:17]2)[cH:7]1.[K+:55].[K+:56].[K+:57].[N:26]1([CH2:31][CH2:32][n:33]2[n:34][cH:35][c:36]([B:38]3[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]3)[cH:37]2)[CH2:27][CH2:28][CH2:29][CH2:30]1.[OH2:112].[OH2:47].[OH2:48].[OH2:49].[P:50]([O-:51])([O-:52])([O-:53])=[O:54].[Pd:71]([Cl:72])[Cl:73].[c:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1.[c:93]1([P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:107][cH:108][cH:109][cH:110][cH:111]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([F:25])[c:6](-[c:8]2[n:9][c:10]3[n:11][cH:12][cH:13][cH:14][c:15]3[c:16](-[c:18]3[n:19][c:20](-[c:36]4[cH:35][n:34][n:33]([CH2:32][CH2:31][N:26]5[CH2:27][CH2:28][CH2:29][CH2:30]5)[cH:37]4)[cH:21][n:22][cH:23]3)[cH:17]2)[cH:7]1

Participants

10

Reactant 9

HCID 813Potassium Cation3×HCID 962Water4×HCID 1061PhosphateHCID 80711,2-DimethoxyethaneHCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 588858611-(2-(pyrrolidin-1-yl)ethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 86673735HCID 86673735, compound

Product 1

HCID 673655352-(5-chloro-2-fluoro-phenyl)-4-{6-[1-(2-pyrrolidin-1-yl-ethyl)-1H-pyrazol-4-yl]-pyrazin-2-yl}-[1,8]naphthyridine

Sources & evidence

ORD record
ord-5c8dc0a76154476e820528a3f2b3381b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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