Carbonate Ion → HCID 178472181, compound
Reaction equation
[C:49](=[O:50])([O-:51])[O-:52].[CH2:55]([CH3:56])[O:57][C:58]([CH:59]([CH3:60])[O:61][c:62]1[n:63][c:64]([S:69][CH2:70][c:71]2[c:72]([F:78])[c:73]([F:77])[cH:74][cH:75][cH:76]2)[n:65][c:66]([Cl:68])[cH:67]1)=[O:79].[CH2:80]1[O:81][CH2:82][CH2:83][O:84][CH2:85]1.[CH3:1][N:2]1[CH:3]2[CH2:4][N:5]([S:11](=[O:12])(=[O:13])[NH2:14])[CH2:6][CH2:7][CH:8]1[CH2:9][CH2:10]2.[CH:15]1([P:16]([CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]2-[c:29]2[c:30]([CH:31]([CH3:32])[CH3:33])[cH:34][c:35]([CH:36]([CH3:37])[CH3:38])[cH:39][c:40]2[CH:41]([CH3:42])[CH3:43])[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]1.[Cs+:53].[Cs+:54].[O:106]=[C:107]([CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1)[CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[O:124]=[C:125]([CH:126]=[CH:127][c:128]1[cH:129][cH:130][cH:131][cH:132][cH:133]1)[CH:134]=[CH:135][c:136]1[cH:137][cH:138][cH:139][cH:140][cH:141]1.[O:88]=[C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)[CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[Pd:86].[Pd:87]>>[CH3:1][N:2]1[CH:3]2[CH2:4][N:5]([S:11](=[O:12])(=[O:13])[NH:14][c:66]3[n:65][c:64]([S:69][CH2:70][c:71]4[c:72]([F:78])[c:73]([F:77])[cH:74][cH:75][cH:76]4)[n:63][c:62]([O:61][CH:59]([C:58]([O:57][CH2:55][CH3:56])=[O:79])[CH3:60])[cH:67]3)[CH2:6][CH2:7][CH:8]1[CH2:9][CH2:10]2Participants
9
Reactant 8
HCID 19660Carbonate Ion
HCID 23938Palladium2×
HCID 312751,4-Dioxane
HCID 95417Dibenzylidene acetone3×
HCID 104967Cesium cation2×
HCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl
HCID 536283849-Methyl-3,9-diazabicyclo[4.2.1]nonane-3-sulfonamide
HCID 87856082Ethyl 2-[6-chloro-2-[(2,3-difluorophenyl)methylsulfanyl]pyrimidin-4-yl]oxypropanoateProduct 1
Sources & evidence
- ORD record
- ord-401c49aa664b4004ad0cadfa9a3be925
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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