Carbonate Ion → N-{2-[(2,3-Difluorobenzyl)thio]-6-methoxypyrimidin-4-yl}-4-pyrimidin-2-ylpiperazine-1-sulfonamide
Reaction equation
[C:51](=[O:52])([O-:53])[O-:54].[CH:17]1([P:18]([CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]2)[c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2-[c:31]2[c:32]([CH:33]([CH3:34])[CH3:35])[cH:36][c:37]([CH:38]([CH3:39])[CH3:40])[cH:41][c:42]2[CH:43]([CH3:44])[CH3:45])[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]1.[Cl:57][c:58]1[n:59][c:60]([S:66][CH2:67][c:68]2[c:69]([F:75])[c:70]([F:74])[cH:71][cH:72][cH:73]2)[n:61][c:62]([O:64][CH3:65])[cH:63]1.[Cs+:55].[Cs+:56].[O:102]=[C:103]([CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1)[CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1.[O:120]=[C:121]([CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1)[CH:130]=[CH:131][c:132]1[cH:133][cH:134][cH:135][cH:136][cH:137]1.[O:76]1[CH2:77][CH2:78][O:79][CH2:80][CH2:81]1.[O:84]=[C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)[CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[Pd:82].[Pd:83].[n:1]1[c:2]([N:7]2[CH2:8][CH2:9][N:10]([S:13](=[O:14])(=[O:15])[NH2:16])[CH2:11][CH2:12]2)[n:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2]([N:7]2[CH2:8][CH2:9][N:10]([S:13](=[O:14])(=[O:15])[NH:16][c:58]3[n:59][c:60]([S:66][CH2:67][c:68]4[c:69]([F:75])[c:70]([F:74])[cH:71][cH:72][cH:73]4)[n:61][c:62]([O:64][CH3:65])[cH:63]3)[CH2:11][CH2:12]2)[n:3][cH:4][cH:5][cH:6]1Participants
9
Reactant 8
HCID 19660Carbonate Ion
HCID 23938Palladium2×
HCID 312751,4-Dioxane
HCID 95417Dibenzylidene acetone3×
HCID 104967Cesium cation2×
HCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl
HCID 115722974-Pyrimidin-2-ylpiperazine-1-sulfonamide
HCID 866198774-Chloro-2-([(2,3-difluorophenyl)methyl]thio]-6-methoxypyrimidineProduct 1
Sources & evidence
- ORD record
- ord-f985f69131084b4984dce6b6be6fdb68
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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