Carbonate Ion → N-[6-(difluoromethoxy)-2-[[(2,3-difluorophenyl)methyl]thio]-4-pyrimidinyl]-1-methyl-1H-imidazole-4-sulfonamide
Reaction equation
[C:45](=[O:46])([O-:47])[O-:48].[CH3:1][n:2]1[cH:3][n:4][c:5]([S:7](=[O:8])(=[O:9])[NH2:10])[cH:6]1.[CH:11]1([P:12]([CH:13]2[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][c:24]2-[c:25]2[c:26]([CH:27]([CH3:28])[CH3:29])[cH:30][c:31]([CH:32]([CH3:33])[CH3:34])[cH:35][c:36]2[CH:37]([CH3:38])[CH3:39])[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]1.[Cl:51][c:52]1[n:53][c:54]([S:62][CH2:63][c:64]2[c:65]([F:71])[c:66]([F:70])[cH:67][cH:68][cH:69]2)[n:55][c:56]([O:58][CH:59]([F:60])[F:61])[cH:57]1.[Cs+:49].[Cs+:50].[O:110]=[C:111]([CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1)[CH:120]=[CH:121][c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1.[O:128]1[CH2:129][CH2:130][O:131][CH2:132][CH2:133]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[O:92]=[C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[Pd:72].[Pd:73]>>[CH3:1][n:2]1[cH:3][n:4][c:5]([S:7](=[O:8])(=[O:9])[NH:10][c:52]2[n:53][c:54]([S:62][CH2:63][c:64]3[c:65]([F:71])[c:66]([F:70])[cH:67][cH:68][cH:69]3)[n:55][c:56]([O:58][CH:59]([F:60])[F:61])[cH:57]2)[cH:6]1Participants
9
Reactant 8
HCID 19660Carbonate Ion
HCID 23938Palladium2×
HCID 312751,4-Dioxane
HCID 95417Dibenzylidene acetone3×
HCID 104967Cesium cation2×
HCID 27368851-methyl-1H-imidazole-4-sulfonamide
HCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl
HCID 866198714-Chloro-6-(difluoromethoxy)-2-[[(2,3-difluorophenyl)methyl]thio]-pyrimidineProduct 1
Sources & evidence
- ORD record
- ord-41eaf3095e8f4c8dae3c3c48d317bbe2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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