Carbonate Ion → Ethyl 2-[6-(azetidin-1-ylsulfonylamino)-2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidin-4-yl]oxypropanoate
Reaction equation
[C:43](=[O:44])([O-:45])[O-:46].[CH2:49]([CH3:50])[O:51][C:52]([CH:53]([CH3:54])[O:55][c:56]1[n:57][c:58]([S:63][CH2:64][c:65]2[c:66]([F:72])[c:67]([F:71])[cH:68][cH:69][cH:70]2)[n:59][c:60]([Cl:62])[cH:61]1)=[O:73].[CH:9]1([P:10]([CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2-[c:23]2[c:24]([CH:25]([CH3:26])[CH3:27])[cH:28][c:29]([CH:30]([CH3:31])[CH3:32])[cH:33][c:34]2[CH:35]([CH3:36])[CH3:37])[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[Cs+:47].[Cs+:48].[N:1]1([S:5](=[O:6])(=[O:7])[NH2:8])[CH2:2][CH2:3][CH2:4]1.[O:112]=[C:113]([CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1)[CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1.[O:130]1[CH2:131][CH2:132][O:133][CH2:134][CH2:135]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[Pd:74].[Pd:75]>>[N:1]1([S:5](=[O:6])(=[O:7])[NH:8][c:60]2[n:59][c:58]([S:63][CH2:64][c:65]3[c:66]([F:72])[c:67]([F:71])[cH:68][cH:69][cH:70]3)[n:57][c:56]([O:55][CH:53]([C:52]([O:51][CH2:49][CH3:50])=[O:73])[CH3:54])[cH:61]2)[CH2:2][CH2:3][CH2:4]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 450805661-Azetidinesulfonamide
HCID 87856082Ethyl 2-[6-chloro-2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidin-4-yl]oxypropanoateProduct 1
Sources & evidence
- ORD record
- ord-ffe86794d44b4308b92306b6c6022c71
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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