Acetate → Tert-butyl 2-(4-morpholinoanilino)-4-phenethylbenzoate

HRID 176679Notes

Reaction equation

HRID 176679 reaction equation
[Br:23][c:24]1[cH:25][cH:26][c:27]([N:30]2[CH2:31][CH2:32][O:33][CH2:34][CH2:35]2)[cH:28][cH:29]1.[C:132]([O-:133])(=[O:134])[CH3:135].[C:137]([O-:138])(=[O:139])[CH3:140].[C:36](=[O:37])([O-:38])[O-:39].[CH3:141][c:142]1[cH:143][cH:144][cH:145][cH:146][cH:147]1.[CH:42]1([P:43]([CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][c:55]2-[c:56]2[c:57]([CH:58]([CH3:59])[CH3:60])[cH:61][c:62]([CH:63]([CH3:64])[CH3:65])[cH:66][c:67]2[CH:68]([CH3:69])[CH3:70])[CH2:71][CH2:72][CH2:73][CH2:74][CH2:75]1.[Cs+:40].[Cs+:41].[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]([CH2:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:14]1.[O:114]=[C:115]([CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1)[CH:124]=[CH:125][c:126]1[cH:127][cH:128][cH:129][cH:130][cH:131]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[O:96]=[C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[Pd+2:136].[Pd:76].[Pd:77]>>[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]([CH2:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:14]1)[c:24]1[cH:25][cH:26][c:27]([N:30]2[CH2:31][CH2:32][O:33][CH2:34][CH2:35]2)[cH:28][cH:29]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 1140TolueneHCID 19660Carbonate IonHCID 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'-triisoprophylbiphenylHCID 116228514-(4-Bromophenyl)morpholineHCID 58508624Tert-butyl 2-amino-4-phenethylbenzoate

Product 1

HCID 68957258Tert-butyl 2-(4-morpholinoanilino)-4-phenethylbenzoate

Sources & evidence

ORD record
ord-9992b591be484b0180618dba1504beee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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