Potassium Cation → 5-[1-(trans-4-{[tert-butyl(dimethyl)silyl]oxy}cyclohexyl)-5-methyl-1H-pyrazol-4-yl]-3-[1-(2,6-dichloro-3-fluorophenyl)-2-fluoro-2,2-bis(phenylsulfonyl)ethyl]-1H-pyrrolo[2,3-b]pyridine
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]1[CH2:8][CH2:9][CH:10]([n:13]2[n:14][cH:15][c:16]([B:19]3[O:20][C:21]([CH3:22])([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27]3)[c:17]2[CH3:18])[CH2:11][CH2:12]1)([CH3:28])[CH3:29].[CH2:72]1[O:73][CH2:74][CH2:75][O:76][CH2:77]1.[F-:30].[K+:31].[OH2:78].[Pd:79]([Cl:80])[Cl:81].[c:32]1([S:38](=[O:39])(=[O:40])[C:41]([CH:42]([c:43]2[c:44]([Cl:51])[c:45]([F:50])[cH:46][cH:47][c:48]2[Cl:49])[c:52]2[cH:53][nH:54][c:55]3[n:56][cH:57][c:58]([Br:61])[cH:59][c:60]23)([F:62])[S:63](=[O:64])(=[O:65])[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]1[CH2:8][CH2:9][CH:10]([n:13]2[n:14][cH:15][c:16](-[c:58]3[cH:57][n:56][c:55]4[nH:54][cH:53][c:52]([CH:42]([C:41]([S:38]([c:32]5[cH:33][cH:34][cH:35][cH:36][cH:37]5)(=[O:39])=[O:40])([F:62])[S:63](=[O:64])(=[O:65])[c:66]5[cH:67][cH:68][cH:69][cH:70][cH:71]5)[c:43]5[c:44]([Cl:51])[c:45]([F:50])[cH:46][cH:47][c:48]5[Cl:49])[c:60]4[cH:59]3)[c:17]2[CH3:18])[CH2:11][CH2:12]1)([CH3:28])[CH3:29]Participants
8
Reactant 7
HCID 813Potassium Cation
HCID 962Water
HCID 24290Palladium Chloride
HCID 28179Fluoride Ion
HCID 312751,4-Dioxane
HCID 67004079trans-Tert-butyl-dimethyl-[4-[5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]cyclohexoxy]silane
HCID 866593275-bromo-3-[1-(2,6-dichloro-3-fluorophenyl)-2-fluoro-2,2-bis(phenylsulfonyl)ethyl]-1H-pyrrolo[2,3-b]pyridineProduct 1
Sources & evidence
- ORD record
- ord-d291f5676c20498eb6d7cd7d111d00a2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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