Acetate → HCID 68957121, compound
Reaction equation
[Br:23][c:24]1[cH:25][c:26]([CH3:30])[cH:27][cH:28][cH:29]1.[C:127]([O-:128])(=[O:129])[CH3:130].[C:132]([O-:133])(=[O:134])[CH3:135].[C:31](=[O:32])([O-:33])[O-:34].[CH3:136][c:137]1[cH:138][cH:139][cH:140][cH:141][cH:142]1.[CH:37]1([P:38]([CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2-[c:51]2[c:52]([CH:53]([CH3:54])[CH3:55])[cH:56][c:57]([CH:58]([CH3:59])[CH3:60])[cH:61][c:62]2[CH:63]([CH3:64])[CH3:65])[CH2:66][CH2:67][CH2:68][CH2:69][CH2:70]1.[Cs+:35].[Cs+:36].[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:109]=[C:110]([CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1)[CH:119]=[CH:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[O:91]=[C:92]([CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1)[CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[Pd+2:131].[Pd:71].[Pd:72]>>[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][c:26]([CH3:30])[cH:27][cH:28][cH:29]1Participants
11
Reactant 10
HCID 175Acetate2×
HCID 1140Toluene
HCID 115603-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 58508624Tert-butyl 2-amino-4-phenethylbenzoateProduct 1
Sources & evidence
- ORD record
- ord-55b9147e184b4331b991634a7a1ba35c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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