Potassium Cation → 6-(4-(3-hydroxypropyl)-3-(trifluoromethyl)phenyl)-1-methyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile
Reaction equation
[CH3:14][C:15]1([CH3:16])[C:17]([CH3:18])([CH3:19])[O:20][B:21]([c:22]2[cH:23][c:24]([C:32]([F:33])([F:34])[F:35])[c:25]([CH2:28][CH2:29][CH2:30][OH:31])[cH:26][cH:27]2)[O:36]1.[CH3:71][CH2:72][O:73][C:74]([CH3:75])=[O:76].[CH:37]1([P:38]([CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[CH:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]1.[Cl:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([C:8]#[N:9])[n:7]1)[n:10][cH:11][n:12]2[CH3:13].[K+:61].[K+:62].[K+:63].[O:115]=[C:116]([CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1)[CH:125]=[CH:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1.[O:64]1[CH2:65][CH2:66][O:67][CH2:68][CH2:69]1.[O:79]=[C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)[CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[O:97]=[C:98]([CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1.[OH2:70].[P:56]([O-:57])([O-:58])([O-:59])=[O:60].[Pd:77].[Pd:78]>>[c:2]1(-[c:22]2[cH:23][c:24]([C:32]([F:33])([F:34])[F:35])[c:25]([CH2:28][CH2:29][CH2:30][OH:31])[cH:26][cH:27]2)[cH:3][c:4]2[c:5]([c:6]([C:8]#[N:9])[n:7]1)[n:10][cH:11][n:12]2[CH3:13]Participants
11
Reactant 10
HCID 813Potassium Cation3×
HCID 962Water
HCID 1061Phosphate
HCID 8857Ethyl Acetate
HCID 23938Palladium2×
HCID 312751,4-Dioxane
HCID 75806Tricyclohexylphosphine
HCID 95417Dibenzylidene acetone3×
HCID 576575346-Chloro-1-methyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile
HCID 576575813-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)phenyl)propan-1-olProduct 1
Sources & evidence
- ORD record
- ord-d06d674b02ab4d54a077d00e052adfea
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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