Carbonate Ion → HCID 178472179, compound

HRID 2349674Notes

Reaction equation

HRID 2349674 reaction equation
[C:46](=[O:47])([O-:48])[O-:49].[CH2:52]([CH3:53])[O:54][C:55]([CH:56]([CH3:57])[O:58][c:59]1[n:60][c:61]([S:66][CH2:67][c:68]2[c:69]([F:75])[c:70]([F:74])[cH:71][cH:72][cH:73]2)[n:62][c:63]([Cl:65])[cH:64]1)=[O:76].[CH3:1][n:2]1[c:3]([CH3:11])[n:4][c:5]([S:7](=[O:8])(=[O:9])[NH2:10])[cH:6]1.[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.[Cs+:50].[Cs+:51].[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:133]1[CH2:134][CH2:135][O:136][CH2:137][CH2:138]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]>>[CH3:1][n:2]1[c:3]([CH3:11])[n:4][c:5]([S:7](=[O:8])(=[O:9])[NH:10][c:63]2[n:62][c:61]([S:66][CH2:67][c:68]3[c:69]([F:75])[c:70]([F:74])[cH:71][cH:72][cH:73]3)[n:60][c:59]([O:58][CH:56]([C:55]([O:54][CH2:52][CH3:53])=[O:76])[CH3:57])[cH:64]2)[cH:6]1

Participants

9

Reactant 8

HCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 27585631,2-dimethyl-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 178472179HCID 178472179, compound

Sources & evidence

ORD record
ord-228a3241f2f64454a849ed53044a8605
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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