tert-Butanol → Tert-butyl 4-(4-(4-(ethoxycarbonyl)oxazol-5-yl)phenyl)piperazine-1-carboxylate
Reaction equation
[Br:43][c:44]1[cH:45][cH:46][c:47](-[c:50]2[c:51]([C:55](=[O:56])[O:57][CH2:58][CH3:59])[n:52][cH:53][o:54]2)[cH:48][cH:49]1.[C:73](=[O:74])([O-:75])[O-:76].[C:85]([OH:86])([CH3:87])([CH3:88])[CH3:89].[CH3:1][C:2]1([CH3:3])[c:4]2[cH:5][cH:6][cH:7][c:8]([P:9]([c:10]3[cH:11][cH:12][cH:13][cH:14][cH:15]3)[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[c:22]2[O:23][c:24]2[c:25]1[cH:26][cH:27][cH:28][c:29]2[P:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cs+:77].[Cs+:78].[N:60]1([C:66](=[O:67])[O:68][C:69]([CH3:70])([CH3:71])[CH3:72])[CH2:61][CH2:62][NH:63][CH2:64][CH2:65]1.[O:110]=[C:111]([CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1)[CH:120]=[CH:121][c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1.[O:128]=[C:129]([CH:130]=[CH:131][c:132]1[cH:133][cH:134][cH:135][cH:136][cH:137]1)[CH:138]=[CH:139][c:140]1[cH:141][cH:142][cH:143][cH:144][cH:145]1.[O:79]1[CH2:80][CH2:81][O:82][CH2:83][CH2:84]1.[O:92]=[C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[Pd:90].[Pd:91]>>[c:44]1([N:63]2[CH2:62][CH2:61][N:60]([C:66](=[O:67])[O:68][C:69]([CH3:70])([CH3:71])[CH3:72])[CH2:65][CH2:64]2)[cH:45][cH:46][c:47](-[c:50]2[c:51]([C:55](=[O:56])[O:57][CH2:58][CH3:59])[n:52][cH:53][o:54]2)[cH:48][cH:49]1Participants
10
Reactant 9
HCID 6386tert-Butanol
HCID 19660Carbonate Ion
HCID 23938Palladium2×
HCID 312751,4-Dioxane
HCID 95417Dibenzylidene acetone3×
HCID 104967Cesium cation2×
HCID 143452tert-Butyl piperazine-1-carboxylate
HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)
HCID 2758809Ethyl 5-(4-bromophenyl)oxazole-4-carboxylateProduct 1
Sources & evidence
- ORD record
- ord-f136ae362e08499b890c58f797587880
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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