Potassium Cation → 4-{5'-[2-(5-Chloro-2-fluoro-phenyl)-[1,8]naphthyridin-4-yl]-[3,3']bipyridinyl-6-yl}-piperazine-1-carboxylic acid tert-butyl ester
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][N:36]([c:39]2[n:40][cH:41][c:42]([B:45]3[O:46][C:47]([CH3:48])([CH3:49])[C:50]([CH3:51])([CH3:52])[O:53]3)[cH:43][cH:44]2)[CH2:37][CH2:38]1.[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[CH3:72][O:73][CH2:74][CH2:75][O:76][CH3:77].[K+:62].[K+:63].[K+:64].[OH2:54].[OH2:55].[OH2:56].[P:57]([O-:58])([O-:59])([O-:60])=[O:61].[Pd:78]([Cl:79])[Cl:80].[c:100]1([P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115][cH:116][cH:117][cH:118]1.[c:81]1([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[cH:95][cH:96][cH:97][cH:98][cH:99]1>>[c:2]1(-[c:42]2[cH:41][n:40][c:39]([N: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:44][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]1Participants
10
Reactant 9
HCID 813Potassium Cation3×
HCID 962Water3×
HCID 1061Phosphate
HCID 80711,2-Dimethoxyethane
HCID 8471Triethylamine
HCID 11776Triphenylphosphine2×
HCID 24290Palladium Chloride
HCID 16217947Tert-butyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate
HCID 673643764-(5-Bromo-pyridin-3-yl)-2-(5-chloro-2-fluoro-phenyl)-[1,8]naphthyridineProduct 1
Sources & evidence
- ORD record
- ord-22c51c5abbf74e01bd0c25efad385651
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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