Potassium Cation → 4-(4-{3-[1-(2,6-Dichloro-3-fluorophenyl)ethyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}-pyrazol-1-yl)cyclohexanone
Reaction equation
[C:43](=[O:44])([O-:45])[O-:46].[Cl:1][c:2]1[c:3]([CH:10]([CH3:11])[c:12]2[cH:13][nH:14][c:15]3[n:16][cH:17][c:18]([B:21]4[O:22][C:23]([CH3:24])([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29]4)[cH:19][c:20]23)[c:4]([Cl:9])[cH:5][cH:6][c:7]1[F:8].[I:30][c:31]1[cH:32][n:33][n:34]([CH:36]2[CH2:37][CH2:38][C:39](=[O:42])[CH2:40][CH2:41]2)[cH:35]1.[K+:47].[K+:48].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[OH2:132].[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[Cl:1][c:2]1[c:3]([CH:10]([CH3:11])[c:12]2[cH:13][nH:14][c:15]3[n:16][cH:17][c:18](-[c:31]4[cH:32][n:33][n:34]([CH:36]5[CH2:37][CH2:38][C:39](=[O:42])[CH2:40][CH2:41]5)[cH:35]4)[cH:19][c:20]23)[c:4]([Cl:9])[cH:5][cH:6][c:7]1[F:8]Participants
8
Reactant 7
HCID 813Potassium Cation2×
HCID 962Water
HCID 19660Carbonate Ion
HCID 312751,4-Dioxane
HCID 584314473-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
HCID 595411654-(4-iodo-1H-pyrazol-1-yl)cyclohexanone
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-4abee0dd0ba74076886bddcc4c40a767
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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