Potassium Cation → Hydrochloric Acid

HRID 176465Notes

Reaction equation

HRID 176465 reaction equation
[CH2:77]1[O:78][CH2:79][CH2:80][O:81][CH2:82]1.[CH3:37][C:38]([CH3:39])([O-:40])[CH3:41].[CH:43]1([P:44]([CH:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2-[c:57]2[c:58]([CH:59]([CH3:60])[CH3:61])[cH:62][c:63]([CH:64]([CH3:65])[CH3:66])[cH:67][c:68]2[CH:69]([CH3:70])[CH3:71])[CH2:72][CH2:73][CH2:74][CH2:75][CH2:76]1.[Cl:21][c:22]1[cH:23][c:24]([F:36])[c:25]([CH2:26][N:27]2[CH2:28][CH2:29][O:30][CH2:31][CH2:32]2)[cH:33][c:34]1[F:35].[F:1][c:2]1[c:3](-[c:9]2[cH:10][n:11][c:12]([CH3:20])[n:13]2[CH:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[n:4][c:5]([NH2:8])[n:6][cH:7]1.[K+:42].[O:103]=[C:104]([CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1)[CH:113]=[CH:114][c:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1.[O:121]=[C:122]([CH:123]=[CH:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1)[CH:131]=[CH:132][c:133]1[cH:134][cH:135][cH:136][cH:137][cH:138]1.[O:85]=[C:86]([CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1)[CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[Pd:83].[Pd:84]>>[ClH:21].[F:1][c:2]1[c:3](-[c:9]2[cH:10][n:11][c:12]([CH3:20])[n:13]2[CH:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[n:4][c:5]([NH:8][c:22]2[cH:23][c:24]([F:36])[c:25]([CH2:26][N:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[cH:33][c:34]2[F:35])[n:6][cH:7]1

Participants

10

Reactant 8

HCID 813Potassium CationHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 45749132-Methylpropan-2-olateHCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylHCID 166654985-fluoro-4-(2-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-yl)pyrimidin-2-amineHCID 59543863HCID 59543863, compound

Product 2

HCID 313Hydrochloric AcidHCID 49781787N-(2,5-Difluoro-4-(morpholinomethyl)phenyl)-5-fluoro-4-(2-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-yl)pyrimidin-2-amine

Sources & evidence

ORD record
ord-f9aaf6b4751c412493ee2f8fd2f42395
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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