Acetate → Tert-butyl 2-(4-methylanilino)-4-phenylbenzoate
Reaction equation
[Br:21][c:22]1[cH:23][cH:24][c:25]([CH3:28])[cH:26][cH:27]1.[C:125]([O-:126])(=[O:127])[CH3:128].[C:130]([O-:131])(=[O:132])[CH3:133].[C:29](=[O:30])([O-:31])[O-:32].[CH3:134][c:135]1[cH:136][cH:137][cH:138][cH:139][cH:140]1.[CH:35]1([P:36]([CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2-[c:49]2[c:50]([CH:51]([CH3:52])[CH3:53])[cH:54][c:55]([CH:56]([CH3:57])[CH3:58])[cH:59][c:60]2[CH:61]([CH3:62])[CH3:63])[CH2:64][CH2:65][CH2:66][CH2:67][CH2:68]1.[Cs+:33].[Cs+:34].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[O:6][C:7]([CH3:8])([CH3:9])[CH3:10])[cH:11][cH:12][c:13](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:14]1.[O:107]=[C:108]([CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1)[CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1.[O:71]=[C:72]([CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1)[CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[O:89]=[C:90]([CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)[CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1.[Pd+2:129].[Pd:69].[Pd:70]>>[NH:1]([c:2]1[c:3]([C:4](=[O:5])[O:6][C:7]([CH3:8])([CH3:9])[CH3:10])[cH:11][cH:12][c:13](-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:14]1)[c:22]1[cH:23][cH:24][c:25]([CH3:28])[cH:26][cH:27]1Participants
11
Reactant 10
HCID 175Acetate2×
HCID 1140Toluene
HCID 78054-Bromotoluene
HCID 19660Carbonate Ion
HCID 23938Palladium2×
HCID 95417Dibenzylidene acetone3×
HCID 104967Cesium cation2×
HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl
HCID 58508425Tert-butyl 3-amino-[1,1'-biphenyl]-4-carboxylateProduct 1
Sources & evidence
- ORD record
- ord-e26a41366d26486e8cabbfe95ede64db
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…