Carbonate Ion → HCID 178472180, compound

HRID 158447Notes

Reaction equation

HRID 158447 reaction equation
[C:45](=[O:46])([O-:47])[O-:48].[CH2:51]([CH3:52])[O:53][C:54]([CH:55]([CH3:56])[O:57][c:58]1[n:59][c:60]([S:65][CH2:66][c:67]2[c:68]([F:74])[c:69]([F:73])[cH:70][cH:71][cH:72]2)[n:61][c:62]([Cl:64])[cH:63]1)=[O:75].[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.[Cs+:49].[Cs+:50].[O:114]=[C:115]([CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1)[CH:124]=[CH:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1.[O:132]1[CH2:133][CH2:134][O:135][CH2:136][CH2:137]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[O:96]=[C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[Pd:76].[Pd:77]>>[CH3:1][n:2]1[cH:3][n:4][c:5]([S:7](=[O:8])(=[O:9])[NH:10][c:62]2[n:61][c:60]([S:65][CH2:66][c:67]3[c:68]([F:74])[c:69]([F:73])[cH:70][cH:71][cH:72]3)[n:59][c:58]([O:57][CH:55]([C:54]([O:53][CH2:51][CH3:52])=[O:75])[CH3:56])[cH:63]2)[cH:6]1

Participants

9

Reactant 8

HCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 27368851-methyl-1H-imidazole-4-sulfonamideHCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylHCID 87856082Ethyl 2-[6-chloro-2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidin-4-yl]oxypropanoate

Product 1

HCID 178472180HCID 178472180, compound

Sources & evidence

ORD record
ord-4fe1b57485d745aca9a0cb8d44688d11
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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