Potassium Cation → HCID 68108456, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[n:16][cH:17][c:18]3[c:19]([n:20]2)[n:21]([CH2:31][O:32][CH2:33][CH2:34][Si:35]([CH3:36])([CH3:37])[CH3:38])[n:22][c:23]3-[c:24]2[n:25][c:26]([Br:30])[cH:27][cH:28][cH:29]2)[CH2:12][CH2:13]1)=[O:39].[C:40]([CH3:41])([CH3:42])([CH3:43])[O:44][C:45]([NH:46][CH2:47][CH2:48][CH:49]([c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[NH2:56])=[O:57].[CH2:122]1[O:123][CH2:124][CH2:125][O:126][CH2:127]1.[K+:58].[K+:59].[N:64]#[N:65].[O-:60][C:61]([O-:62])=[O:63].[O:104]=[C:105]([CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1)[CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1.[O:68]=[C:69]([CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1)[CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[O:86]=[C:87]([CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1)[CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1.[Pd:66].[Pd:67]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[n:16][cH:17][c:18]3[c:19]([n:20]2)[n:21]([CH2:31][O:32][CH2:33][CH2:34][Si:35]([CH3:36])([CH3:37])[CH3:38])[n:22][c:23]3-[c:24]2[n:25][c:26]([NH:56][CH:49]([CH2:48][CH2:47][NH:46][C:45]([O:44][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:57])[c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[cH:27][cH:28][cH:29]2)[CH2:12][CH2:13]1)=[O:39]Participants
9
Reactant 8
HCID 813Potassium Cation2×
HCID 947Nitrogen
HCID 19660Carbonate Ion
HCID 23938Palladium2×
HCID 312751,4-Dioxane
HCID 95417Dibenzylidene acetone3×
HCID 57826906HCID 57826906, compound
HCID 86667966{4-[3-(6-bromo-pyridin-2-yl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-ylamino]-cyclohexyl}-carbamic acid tert-butyl esterProduct 1
Sources & evidence
- ORD record
- ord-d95e2efe3fc2407ea1c50f8ec57ae87f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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