Acetate → HCID 68960305, compound

HRID 1235027Notes

Reaction equation

HRID 1235027 reaction equation
[C:126]([O-:127])(=[O:128])[CH3:129].[C:131]([O-:132])(=[O:133])[CH3:134].[C:63](=[O:64])([O-:65])[O-:66].[CH3:135][CH2:136][O:137][C:138](=[O:139])[CH3:140].[CH3:141][c:142]1[cH:143][cH:144][cH:145][cH:146][cH:147]1.[CH:9]1([P:10]([CH:11]2[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]2)[c:17]2[cH:18][cH:19][cH:20][cH:21][c:22]2-[c:23]2[c:24]([CH:25]([CH3:26])[CH3:27])[cH:28][c:29]([CH:30]([CH3:31])[CH3:32])[cH:33][c:34]2[CH:35]([CH3:36])[CH3:37])[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[ClH:69].[Cs+:67].[Cs+:68].[F:1][c:2]1[c:3]([I:8])[cH:4][cH:5][cH:6][cH:7]1.[NH2:43][c:44]1[c:45]([C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[cH:53][cH:54][c:55](-[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[cH:56]1.[O:108]=[C:109]([CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1)[CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1.[O:72]=[C:73]([CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)[CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[Pd+2:130].[Pd:70].[Pd:71]>>[F:1][c:2]1[c:3]([NH:43][c:44]2[c:45]([C:46](=[O:47])[O:48][C:49]([CH3:50])([CH3:51])[CH3:52])[cH:53][cH:54][c:55](-[c:57]3[cH:58][cH:59][cH:60][cH:61][cH:62]3)[cH:56]2)[cH:4][cH:5][cH:6][cH:7]1

Participants

13

Reactant 12

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 23938Palladium2×HCID 676731-Fluoro-2-iodobenzeneHCID 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 58508425Tert-butyl 3-amino-[1,1'-biphenyl]-4-carboxylate

Product 1

HCID 68960305HCID 68960305, compound

Sources & evidence

ORD record
ord-7cd4030a38c04165b1fc6b10d30a7259
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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