Carbonate Ion → Ethyl 2-[2-[(2,3-difluorophenyl)methylsulfanyl]-6-(methanesulfonamido)pyrimidin-4-yl]oxypropanoate
Reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[CH2:46]([CH3:47])[O:48][C:49]([CH:50]([CH3:51])[O:52][c:53]1[n:54][c:55]([S:60][CH2:61][c:62]2[c:63]([F:69])[c:64]([F:68])[cH:65][cH:66][cH:67]2)[n:56][c:57]([Cl:59])[cH:58]1)=[O:70].[CH3:1][S:2](=[O:3])(=[O:4])[NH2:5].[CH:6]1([P:7]([CH:8]2[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]2)[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]2-[c:20]2[c:21]([CH:22]([CH3:23])[CH3:24])[cH:25][c:26]([CH:27]([CH3:28])[CH3:29])[cH:30][c:31]2[CH:32]([CH3:33])[CH3:34])[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]1.[Cs+:44].[Cs+:45].[O:109]=[C:110]([CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1)[CH:119]=[CH:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1.[O:127]1[CH2:128][CH2:129][O:130][CH2:131][CH2:132]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[O:91]=[C:92]([CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1)[CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[Pd:71].[Pd:72]>>[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:57]1[n:56][c:55]([S:60][CH2:61][c:62]2[c:63]([F:69])[c:64]([F:68])[cH:65][cH:66][cH:67]2)[n:54][c:53]([O:52][CH:50]([C:49]([O:48][CH2:46][CH3:47])=[O:70])[CH3:51])[cH:58]1Participants
9
Reactant 8
HCID 19660Carbonate Ion
HCID 23938Palladium2×
HCID 312751,4-Dioxane
HCID 72879Methanesulfonamide
HCID 95417Dibenzylidene acetone3×
HCID 104967Cesium cation2×
HCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl
HCID 87856082Ethyl 2-[6-chloro-2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidin-4-yl]oxypropanoateProduct 1
Sources & evidence
- ORD record
- ord-1aeb37c267dd47ef9cfab9ccb669f699
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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