1,2-Dimethoxyethane → Methyl 4-(6-(trans-4-tert-butylcyclohexyloxy)-5-(trifluoromethyl)naphthalen-2-yl)-4-nitrobutanoate
Reaction equation
[Br:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([O:16][CH:17]3[CH2:18][CH2:19][CH:20]([C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:21][CH2:22]3)[c:8]([C:12]([F:13])([F:14])[F:15])[c:9]2[cH:10][cH:11]1.[C:27]([P:28]([C:29]([CH3:30])([CH3:31])[CH3:32])[c:33]1[cH:34][cH:35][cH:36][cH:37][c:38]1-[c:39]1[cH:40][cH:41][cH:42][cH:43][c:44]1[CH3:45])([CH3:46])([CH3:47])[CH3:48].[C:49](=[O:50])([O-:51])[O-:52].[CH3:55][O:56][CH2:57][CH2:58][O:59][CH3:60].[CH3:61][O:62][C:63]([CH2:64][CH2:65][CH2:66][N+:67](=[O:68])[O-:69])=[O:70].[Cs+:53].[Cs+:54].[O:109]=[C:110]([CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1)[CH:119]=[CH:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[O:91]=[C:92]([CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1)[CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[Pd:71].[Pd:72]>>[c:2]1([CH:66]([CH2:65][CH2:64][C:63]([O:62][CH3:61])=[O:70])[N+:67](=[O:68])[O-:69])[cH:3][c:4]2[cH:5][cH:6][c:7]([O:16][CH:17]3[CH2:18][CH2:19][CH:20]([C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:21][CH2:22]3)[c:8]([C:12]([F:13])([F:14])[F:15])[c:9]2[cH:10][cH:11]1Participants
9
Reactant 8
HCID 80711,2-Dimethoxyethane
HCID 19660Carbonate Ion
HCID 23938Palladium2×
HCID 25604Methyl 4-nitrobutyrate
HCID 95417Dibenzylidene acetone3×
HCID 104967Cesium cation2×
HCID 27349372-(Di-tert-butylphosphino)-2'-methyl-1,1'-biphenyl
HCID 669267096-Bromo-2-(trans-4-tert-butylcyclohexyloxy)-1-(trifluoromethyl)naphthaleneProduct 1
Sources & evidence
- ORD record
- ord-2d4fac109c62427f9256b889d0676957
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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