Acetate → HCID 22248599, compound

HRID 698483Notes

Reaction equation

HRID 698483 reaction equation
[Br:67][c:68]1[c:69]([F:74])[cH:70][cH:71][cH:72][cH:73]1.[C:83]([O-:84])(=[O:85])[CH3:86].[C:88]([O-:89])(=[O:90])[CH3:91].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH:13]2[CH2:14][CH2:15][C:16](=[O:20])[CH:17]2[CH2:18][CH2:19]1.[CH3:75][C:76]([CH3:77])([O-:78])[CH3:79].[CH3:92][CH2:93][O:94][C:95](=[O:96])[CH3:97].[CH3:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[Cl-:81].[NH4+:82].[Na+:80].[Pd+2:87].[cH:21]1[cH:22][cH:23][c:24]([P:25]([c:26]2[cH:27][cH:28][c:29]3[c:30]([cH:31][cH:32][cH:33][cH:34]3)[c:35]2-[c:36]2[c:37]3[c:38]([cH:39][cH:40][cH:41][cH:42]3)[cH:43][cH:44][c:45]2[P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][CH:13]2[CH2:14][CH:15]([c:68]3[c:69]([F:74])[cH:70][cH:71][cH:72][cH:73]3)[C:16](=[O:20])[CH:17]2[CH2:18][CH2:19]1

Participants

12

Reactant 11

HCID 175Acetate2×HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium ionHCID 1140TolueneHCID 8857Ethyl AcetateHCID 612591-Bromo-2-fluorobenzeneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 634876Binap, (A+-)-HCID 45749132-Methylpropan-2-olateHCID 22248215HCID 22248215, compound

Product 1

HCID 22248599HCID 22248599, compound

Sources & evidence

ORD record
ord-d76e38d146fc4e1489992f6c8e2f44a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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