Methanol → 2-[4-(4-Mesylpiperazin-1-yl)anilino]-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidine

HRID 2337649Notes

Reaction equation

HRID 2337649 reaction equation
[Br:17][c:18]1[cH:19][cH:20][c:21]([N:24]2[CH2:25][CH2:26][N:27]([S:30](=[O:31])(=[O:32])[CH3:33])[CH2:28][CH2:29]2)[cH:22][cH:23]1.[C:34]([P:35]([C:36]([CH3:37])([CH3:38])[CH3:39])[c:40]1[cH:41][cH:42][cH:43][cH:44][c:45]1-[c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)([CH3:52])([CH3:53])[CH3:54].[CH2:61]1[O:62][CH2:63][CH2:64][O:65][CH2:66]1.[CH3:123][OH:124].[CH3:55][C:56]([CH3:57])([O-:58])[CH3:59].[Cl:125][CH2:126][Cl:127].[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][n:10][c:11]([CH3:16])[n:12]2[CH:13]([CH3:14])[CH3:15])[n:7]1.[Na+:60].[O:105]=[C:106]([CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1)[CH:115]=[CH:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1.[O:69]=[C:70]([CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1)[CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[O:87]=[C:88]([CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1)[CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[Pd:67].[Pd:68]>>[NH:1]([c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][n:10][c:11]([CH3:16])[n:12]2[CH:13]([CH3:14])[CH3:15])[n:7]1)[c:18]1[cH:19][cH:20][c:21]([N:24]2[CH2:25][CH2:26][N:27]([S:30](=[O:31])(=[O:32])[CH3:33])[CH2:28][CH2:29]2)[cH:22][cH:23]1

Participants

11

Reactant 10

HCID 887MethanolHCID 923Sodium ionHCID 6344DichloromethaneHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 27342152-(Di-tert-butylphosphino)biphenylHCID 45749132-Methylpropan-2-olateHCID 219193841-(4-Bromophenyl)-4-(methylsulfonyl)piperazineHCID 25178483HCID 25178483, compound

Product 1

HCID 445785702-[4-(4-Mesylpiperazin-1-yl)anilino]-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)pyrimidine

Sources & evidence

ORD record
ord-250fe515cf2d4950bcc49980588bfc9e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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