Acetamide → Tert-butyl 4-[[4-[[6-(6-acetamidopyrimidin-4-yl)oxynaphthalene-1-carbonyl]amino]-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][c:15]2[c:16]([C:42]([F:43])([F:44])[F:45])[cH:17][c:18]([NH:21][C:22](=[O:23])[c:24]3[cH:25][cH:26][cH:27][c:28]4[cH:29][c:30]([O:34][c:35]5[n:36][cH:37][n:38][c:39]([Cl:41])[cH:40]5)[cH:31][cH:32][c:33]34)[cH:19][cH:20]2)[CH2:12][CH2:13]1.[C:50](=[O:51])([O-:52])[O-:53].[CH3:46][C:47]([NH2:48])=[O:49].[Cs+:54].[Cs+:55].[O:101]=[C:102]([CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1)[CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[O:56]1[CH2:57][CH2:58][O:59][CH2:60][CH2:61]1.[O:65]=[C:66]([CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[OH2:62].[Pd:63].[Pd:64]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][c:15]2[c:16]([C:42]([F:43])([F:44])[F:45])[cH:17][c:18]([NH:21][C:22](=[O:23])[c:24]3[cH:25][cH:26][cH:27][c:28]4[cH:29][c:30]([O:34][c:35]5[n:36][cH:37][n:38][c:39]([NH:48][C:47]([CH3:46])=[O:49])[cH:40]5)[cH:31][cH:32][c:33]34)[cH:19][cH:20]2)[CH2:12][CH2:13]1Participants
9
Reactant 8
HCID 178Acetamide
HCID 962Water
HCID 19660Carbonate Ion
HCID 23938Palladium2×
HCID 312751,4-Dioxane
HCID 95417Dibenzylidene acetone3×
HCID 104967Cesium cation2×
HCID 86624935Tert-butyl 4-[[4-[[6-(6-chloropyrimidin-4-yl)oxynaphthalene-1-carbonyl]amino]-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylateProduct 1
Sources & evidence
- ORD record
- ord-be776fc9c1994fc0acbb61f4c80775d8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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