Carbonate Ion → N'-{2-[(2,3-Difluorobenzyl)thio]-6-methoxypyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-N-methylsulfamide
Reaction equation
[C:65](=[O:66])([O-:67])[O-:68].[CH3:20][N:21]([CH2:22][CH2:23][N:24]([S:25](=[O:26])(=[O:27])[NH2:28])[CH3:29])[CH3:30].[CH:31]1([P:32]([CH:33]2[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]2)[C:39]2([CH:40]([CH3:41])[CH3:42])[CH2:43][CH:44]=[CH:45][CH:46]=[C:47]2[c:48]2[c:49]([CH:50]([CH3:51])[CH3:52])[cH:53][c:54]([CH:55]([CH3:56])[CH3:57])[cH:58][cH:59]2)[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64]1.[Cl:1][c:2]1[n:3][c:4]([S:10][CH2:11][c:12]2[c:13]([F:19])[c:14]([F:18])[cH:15][cH:16][cH:17]2)[n:5][c:6]([O:8][CH3:9])[cH:7]1.[Cs+:69].[Cs+:70].[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]>>[c:2]1([NH:28][S:25]([N:24]([CH2:23][CH2:22][N:21]([CH3:20])[CH3:30])[CH3:29])(=[O:26])=[O:27])[n:3][c:4]([S:10][CH2:11][c:12]2[c:13]([F:19])[c:14]([F:18])[cH:15][cH:16][cH:17]2)[n:5][c:6]([O:8][CH3:9])[cH:7]1Participants
9
Reactant 8
HCID 19660Carbonate Ion
HCID 23938Palladium2×
HCID 312751,4-Dioxane
HCID 95417Dibenzylidene acetone3×
HCID 104967Cesium cation2×
HCID 11286832{[2-(Dimethylamino)ethyl](methyl)sulfamoyl}amine
HCID 671608462-Dicyclohexylphosphino-2,4',6'-tri-isopropyl-1,1'-biphenyl
HCID 866198774-Chloro-2-([(2,3-difluorophenyl)methyl]thio]-6-methoxypyrimidineProduct 1
Sources & evidence
- ORD record
- ord-1fbbbab63ddb4ec2a37683d8f3a575e4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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