Acetate → HCID 87234833, compound

HRID 1229275Notes

Reaction equation

HRID 1229275 reaction equation
[C:24]([P:25]([C:26]([CH3:27])([CH3:28])[CH3:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][c:35]1-[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)([CH3:42])([CH3:43])[CH3:44].[C:57]([O-:58])(=[O:59])[CH3:60].[C:62]([O-:63])(=[O:64])[CH3:65].[CH3:45][C:46]([CH3:47])([O-:48])[CH3:49].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[CH3:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[Cl:1][c:2]1[n:3][c:4]([Cl:13])[cH:5][c:6]([O:8][CH2:9][CH:10]2[CH2:11][CH2:12]2)[cH:7]1.[F:14][c:15]1[cH:16][cH:17][c:18]([CH:21]([CH3:22])[NH2:23])[cH:19][cH:20]1.[Na+:50].[Pd+2:61]>>[c:2]1([NH:23][CH:21]([c:18]2[cH:17][cH:16][c:15]([F:14])[cH:20][cH:19]2)[CH3:22])[n:3][c:4]([Cl:13])[cH:5][c:6]([O:8][CH2:9][CH:10]2[CH2:11][CH2:12]2)[cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ionHCID 1140TolueneHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 1230631-(4-Fluorophenyl)ethylamineHCID 27342152-(Di-tert-butylphosphino)biphenylHCID 45749132-Methylpropan-2-olateHCID 86659403HCID 86659403, compound

Product 1

HCID 87234833HCID 87234833, compound

Sources & evidence

ORD record
ord-7d984bcbb8104c13a81f6fba07223b1f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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