Acetate → HCID 68962514, compound
Reaction equation
[C:128]([O-:129])(=[O:130])[CH3:131].[C:133]([O-:134])(=[O:135])[CH3:136].[C:32](=[O:33])([O-:34])[O-:35].[CH3:137][c:138]1[cH:139][cH:140][cH:141][cH:142][cH:143]1.[CH:38]1([P:39]([CH:40]2[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2-[c:52]2[c:53]([CH:54]([CH3:55])[CH3:56])[cH:57][c:58]([CH:59]([CH3:60])[CH3:61])[cH:62][c:63]2[CH:64]([CH3:65])[CH3:66])[CH2:67][CH2:68][CH2:69][CH2:70][CH2:71]1.[Cl:23][c:24]1[c:25]([I:31])[c:26]([Cl:30])[cH:27][cH:28][cH:29]1.[Cs+:36].[Cs+:37].[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: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:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]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+2:132].[Pd:72].[Pd:73]>>[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:25]1[c:24]([Cl:23])[cH:29][cH:28][cH:27][c:26]1[Cl:30]Participants
11
Reactant 10
HCID 175Acetate2×
HCID 1140Toluene
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 1404982,6-Dichloroiodobenzene
HCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl
HCID 58508624Tert-butyl 2-amino-4-phenethylbenzoateProduct 1
Sources & evidence
- ORD record
- ord-8c4033fc633d4c718bc4f80a9a7bb209
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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