Carbonate Ion → N-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(3-hydroxybutan-2-yloxy)pyrimidin-4-yl]-3,5-dimethylpiperazine-1-sulfonamide
Reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[CH3:1][CH:2]1[CH2:3][N:4]([S:9](=[O:10])(=[O:11])[NH2:12])[CH2:5][CH:6]([CH3:8])[NH:7]1.[CH:13]1([P:14]([CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][c:26]2-[c:27]2[c:28]([CH:29]([CH3:30])[CH3:31])[cH:32][c:33]([CH:34]([CH3:35])[CH3:36])[cH:37][c:38]2[CH:39]([CH3:40])[CH3:41])[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1.[Cl:53][c:54]1[cH:55][c:56]([O:70][CH:71]([CH:72]([CH3:73])[OH:74])[CH3:75])[n:57][c:58]([S:60][CH2:61][c:62]2[c:63]([F:69])[c:64]([F:68])[cH:65][cH:66][cH:67]2)[n:59]1.[Cs+:51].[Cs+:52].[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]>>[CH3:1][CH:2]1[CH2:3][N:4]([S:9](=[O:10])(=[O:11])[NH:12][c:54]2[cH:55][c:56]([O:70][CH:71]([CH:72]([CH3:73])[OH:74])[CH3:75])[n:57][c:58]([S:60][CH2:61][c:62]3[c:63]([F:69])[c:64]([F:68])[cH:65][cH:66][cH:67]3)[n:59]2)[CH2:5][CH:6]([CH3:8])[NH:7]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 66702089HCID 66702089, compound
HCID 878561333-[6-Chloro-2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidin-4-yl]oxybutan-2-olProduct 1
Sources & evidence
- ORD record
- ord-40d43da441ba490d89ddfe33bce04ca5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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