Potassium Cation → 1-(2,4-Difluoro-benzyl)-6-[5-(6-methylsulfanyl-pyridin-3-yl)-thiophen-2-yl]-2-oxo-4-trifluoromethyl-1,2-dihydro-pyridine-3-carbonitrile
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:7]2[cH:8][c:9]([C:25]([F:26])([F:27])[F:28])[c:10]([C:23]#[N:24])[c:11](=[O:22])[n:12]2[CH2:13][c:14]2[c:15]([F:21])[cH:16][c:17]([F:20])[cH:18][cH:19]2)[s:6]1.[C:46](=[O:47])([O-:48])[O-:49].[CH3:129][O:130][CH2:131][CH2:132][O:133][CH3:134].[CH3:29][S:30][c:31]1[n:32][cH:33][c:34]([B:37]2[O:38][C:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45]2)[cH:35][cH:36]1.[K+:50].[K+:51].[OH2:135].[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[c:2]1(-[c:34]2[cH:33][n:32][c:31]([S:30][CH3:29])[cH:36][cH:35]2)[cH:3][cH:4][c:5](-[c:7]2[cH:8][c:9]([C:25]([F:26])([F:27])[F:28])[c:10]([C:23]#[N:24])[c:11](=[O:22])[n:12]2[CH2:13][c:14]2[c:15]([F:21])[cH:16][c:17]([F:20])[cH:18][cH:19]2)[s:6]1Participants
8
Reactant 7
HCID 813Potassium Cation2×
HCID 962Water
HCID 80711,2-Dimethoxyethane
HCID 19660Carbonate Ion
HCID 116053146-(5-Bromo-thiophen-2-yl)-1-(2,4-difluoro-benzyl)-2-oxo-4-trifluoromethyl-1,2-dihydro-pyridine-3-carbonitrile
HCID 447551912-(Methylsulfanyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-93aefcd69e1143d09555a767385252a5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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