Carbonate Ion → HCID 178493309, compound

HRID 209034Notes

Reaction equation

HRID 209034 reaction equation
[C:53](=[O:54])([O-:55])[O-:56].[CH:19]1([P:20]([CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]2-[c:33]2[c:34]([CH:35]([CH3:36])[CH3:37])[cH:38][c:39]([CH:40]([CH3:41])[CH3:42])[cH:43][c:44]2[CH:45]([CH3:46])[CH3:47])[CH2:48][CH2:49][CH2:50][CH2:51][CH2:52]1.[Cl:59][c:60]1[n:61][c:62]([S:68][CH2:69][c:70]2[c:71]([F:77])[c:72]([F:76])[cH:73][cH:74][cH:75]2)[n:63][c:64]([O:66][CH3:67])[cH:65]1.[Cs+:57].[Cs+:58].[NH2:1][S:2](=[O:3])(=[O:4])[N:5]1[CH:6]([CH3:18])[CH2:7][N:8]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:9][CH2:10]1.[O:104]=[C:105]([CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1)[CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1.[O:122]=[C:123]([CH:124]=[CH:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1)[CH:132]=[CH:133][c:134]1[cH:135][cH:136][cH:137][cH:138][cH:139]1.[O:78]1[CH2:79][CH2:80][O:81][CH2:82][CH2:83]1.[O:86]=[C:87]([CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1)[CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1.[Pd:84].[Pd:85]>>[NH:1]([S:2](=[O:3])(=[O:4])[N:5]1[CH:6]([CH3:18])[CH2:7][N:8]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:9][CH2:10]1)[c:60]1[n:61][c:62]([S:68][CH2:69][c:70]2[c:71]([F:77])[c:72]([F:76])[cH:73][cH:74][cH:75]2)[n:63][c:64]([O:66][CH3:67])[cH:65]1

Participants

9

Reactant 8

HCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylHCID 866198774-Chloro-2-([(2,3-difluorophenyl)methyl]thio]-6-methoxypyrimidineHCID 178430793HCID 178430793, compound

Product 1

HCID 178493309HCID 178493309, compound

Sources & evidence

ORD record
ord-76e38c384f3244ab9418bd5fdf272447
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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