Potassium Cation → Methyl 4'-[2-[benzyl(tert-butoxycarbonyl)amino]ethyl]-3-nitro-4-biphenylcarboxylate
Reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[C:49]([P:50]([C:51]([CH3:52])([CH3:53])[CH3:54])[C:55]([CH3:56])([CH3:57])[CH3:58])([CH3:59])([CH3:60])[CH3:61].[CH2:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[N:22]([CH2:23][CH2:24][c:25]1[cH:26][cH:27][c:28]([B:31]([OH:32])[OH:33])[cH:29][cH:30]1)[C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40].[CH2:62]1[O:63][CH2:64][CH2:65][O:66][CH2:67]1.[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[Cl:1][c:2]1[cH:3][c:4]([N+:12](=[O:13])[O-:14])[c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[Cs+:45].[Cs+:46].[F-:47].[K+:48].[O:112]=[C:113]([CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1)[CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[Pd:74].[Pd:75]>>[c:2]1(-[c:28]2[cH:27][cH:26][c:25]([CH2:24][CH2:23][N:22]([CH2:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[cH:30][cH:29]2)[cH:3][c:4]([N+:12](=[O:13])[O-:14])[c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1Participants
12
Reactant 11
HCID 813Potassium Cation
HCID 8857Ethyl Acetate
HCID 19660Carbonate Ion
HCID 23938Palladium2×
HCID 28179Fluoride Ion
HCID 312751,4-Dioxane
HCID 39135Methyl 4-chloro-2-nitrobenzoate
HCID 83681Tris(1,1-dimethylethyl)phosphine
HCID 95417Dibenzylidene acetone3×
HCID 104967Cesium cation2×
HCID 22171360(4-[2-[Benzyl(tert-butoxycarbonyl)amino]ethyl]phenyl]boronic acidProduct 1
Sources & evidence
- ORD record
- ord-3b6fb33f93454d9f96bb43f63d26bc19
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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