Chloride → 3-Benzyl-1-{2-[4-(5-iodothiophen-2-yl)pyrimidin-2-ylamino]ethyl)-5,5-dimethylimidazolidine-2,4-dione
Reaction equation
[C:35](=[O:36])([O-:37])[O-:38].[C:62]([OH:63])([CH3:64])([CH3:65])[CH3:66].[CH2:42]([N+:43]([CH2:44][CH2:45][CH2:46][CH3:47])([CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH2:54][CH3:55])[c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[Cl-:41].[Cs+:39].[Cs+:40].[I:1][c:2]1[cH:3][cH:4][c:5](-[c:7]2[n:8][c:9]([NH:13][CH2:14][CH2:15][N:16]3[C:17](=[O:24])[NH:18][C:19](=[O:23])[C:20]3([CH3:21])[CH3:22])[n:10][cH:11][cH:12]2)[s:6]1.[Na+:34].[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: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].[c:25]1([S:31]([O-:32])=[O:33])[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[I:1][c:2]1[cH:3][cH:4][c:5](-[c:7]2[n:8][c:9]([NH:13][CH2:14][CH2:15][N:16]3[C:17](=[O:24])[N:18]([CH2:35][c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[C:19](=[O:23])[C:20]3([CH3:21])[CH3:22])[n:10][cH:11][cH:12]2)[s:6]1Participants
12
Reactant 11
HCID 312Chloride
HCID 923Sodium ion
HCID 1140Toluene
HCID 6386tert-Butanol
HCID 19660Carbonate Ion
HCID 23938Palladium2×
HCID 95417Dibenzylidene acetone3×
HCID 104967Cesium cation2×
HCID 124611Benzyltributylammonium bromide
HCID 3857574Benzenesulfinate
HCID 602044651-{2-[4-(5-Iodothiophen-2-yl)pyrimidin-2-ylamino]ethyl}-5,5-dimethylimidazolidine-2,4-dioneProduct 1
Sources & evidence
- ORD record
- ord-35f0eafb44554059abfe19b227c7a8af
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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