Carbonate Ion → N-[2-[[(2,3-difluorophenyl)methyl]thio]-6-(1,1-dimethylethoxy)-4-pyrimidinyl]-1-azetidinesulfonamide
Reaction equation
[C:43](=[O:44])([O-:45])[O-:46].[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.[Cl:49][c:50]1[n:51][c:52]([S:61][CH2:62][c:63]2[c:64]([F:70])[c:65]([F:69])[cH:66][cH:67][cH:68]2)[n:53][c:54]([O:56][C:57]([CH3:58])([CH3:59])[CH3:60])[cH:55]1.[Cs+:47].[Cs+:48].[N:1]1([S:5](=[O:6])(=[O:7])[NH2:8])[CH2:2][CH2:3][CH2:4]1.[O:115]=[C:116]([CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1)[CH:125]=[CH:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1.[O:71]1[CH2:72][CH2:73][O:74][CH2:75][CH2:76]1.[O:79]=[C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)[CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[O:97]=[C:98]([CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1)[CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1.[Pd:77].[Pd:78]>>[N:1]1([S:5](=[O:6])(=[O:7])[NH:8][c:50]2[n:51][c:52]([S:61][CH2:62][c:63]3[c:64]([F:70])[c:65]([F:69])[cH:66][cH:67][cH:68]3)[n:53][c:54]([O:56][C:57]([CH3:58])([CH3:59])[CH3:60])[cH:55]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 866198744-Chloro-2-[[(2,3-difluorophenyl)methyl]thio]-6-(1,1-dimethylethoxy)-pyrimidineProduct 1
Sources & evidence
- ORD record
- ord-605c00fbb7244e8fa4c547e125e53ffe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…