Carbonate Ion → 2-Amino-N-{2-[(2,3-difluorobenzyl)thio]-6-methoxypyrimidin-4-yl}-4-methyl-1,3-thiazole-5-sulfonamide
Reaction equation
[C:46](=[O:47])([O-:48])[O-:49].[CH:12]1([P:13]([CH:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]2-[c:26]2[c:27]([CH:28]([CH3:29])[CH3:30])[cH:31][c:32]([CH:33]([CH3:34])[CH3:35])[cH:36][c:37]2[CH:38]([CH3:39])[CH3:40])[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]1.[Cl:52][c:53]1[n:54][c:55]([S:61][CH2:62][c:63]2[c:64]([F:70])[c:65]([F:69])[cH:66][cH:67][cH:68]2)[n:56][c:57]([O:59][CH3:60])[cH:58]1.[Cs+:50].[Cs+:51].[NH2:1][c:2]1[s:3][c:4]([S:8](=[O:9])(=[O:10])[NH2:11])[c:5]([CH3:7])[n:6]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]>>[NH2:1][c:2]1[s:3][c:4]([S:8](=[O:9])(=[O:10])[NH:11][c:53]2[n:54][c:55]([S:61][CH2:62][c:63]3[c:64]([F:70])[c:65]([F:69])[cH:66][cH:67][cH:68]3)[n:56][c:57]([O:59][CH3:60])[cH:58]2)[c:5]([CH3:7])[n:6]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 186932442-Amino-4-methyl-1,3-thiazole-5-sulfonamide
HCID 866198774-Chloro-2-([(2,3-difluorophenyl)methyl]thio]-6-methoxypyrimidineProduct 1
Sources & evidence
- ORD record
- ord-58138271b15a487786cf2f006695ef99
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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