Carbonate Ion → 4-[4-[Tert-butyl(dimethyl)silyl]oxy-3,3,5-trimethyl-2-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]1[C:8]([CH3:14])([CH3:15])[C:9](=[O:13])[NH:10][CH:11]1[CH3:12])([CH3:16])[CH3:17].[C:31](=[O:32])([O-:33])[O-:34].[Cs+:35].[Cs+:36].[I:18][c:19]1[cH:20][c:21]([C:27]([F:28])([F:29])[F:30])[c:22]([C:23]#[N:24])[cH:25][cH:26]1.[O:117]=[C:118]([CH:119]=[CH:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1)[CH:127]=[CH:128][c:129]1[cH:130][cH:131][cH:132][cH:133][cH:134]1.[O:81]=[C:82]([CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1)[CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[O:99]=[C:100]([CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1)[CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1.[Pd:79].[Pd:80].[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[c:46]3[c:70]([cH:71][cH:72][cH:73]2)[C:67]([CH3:68])([CH3:69])[c:49]2[c:48]([c:53]([P:54]([c:55]4[cH:56][cH:57][cH:58][cH:59][cH:60]4)[c:61]4[cH:62][cH:63][cH:64][cH:65][cH:66]4)[cH:52][cH:51][cH:50]2)[O:47]3)[cH:74][cH:75][cH:76][cH:77][cH:78]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]1[C:8]([CH3:14])([CH3:15])[C:9](=[O:13])[N:10]([c:19]2[cH:20][c:21]([C:27]([F:28])([F:29])[F:30])[c:22]([C:23]#[N:24])[cH:25][cH:26]2)[CH:11]1[CH3:12])([CH3:16])[CH3:17]Participants
8
Reactant 7
HCID 19660Carbonate Ion
HCID 23938Palladium2×
HCID 95417Dibenzylidene acetone3×
HCID 104967Cesium cation2×
HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)
HCID 162183374-Iodo-2-(trifluoromethyl)benzonitrile
HCID 67105615(4RS,5RS)-4-(tert-butyldimethylsilyloxy)-3,3,5-trimethylpyrrolidin-2-oneProduct 1
Sources & evidence
- ORD record
- ord-fc75c661295d4abcb8cfa021993afe1b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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