Acetate → HCID 68779108, compound

HRID 159459Notes

Reaction equation

HRID 159459 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[n:16][cH:17][c:18]([Br:21])[cH:19][n:20]2)[CH2:12][CH2:13]1.[CH3:23][C:24]([O-:25])=[O:26].[CH3:27][C:28](=[O:29])[OH:30].[K+:22].[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[OH2:80].[OH:31][OH:32].[Pd:39]([Cl:40])[Cl:41].[c:42]1([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:56][cH:57][cH:58][cH:59][cH:60]1.[c:61]1([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[n:16][cH:17][c:18]([OH:25])[cH:19][n:20]2)[CH2:12][CH2:13]1

Participants

10

Reactant 9

HCID 175AcetateHCID 176Acetic AcidHCID 784Hydrogen PeroxideHCID 813Potassium CationHCID 962WaterHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 312751,4-DioxaneHCID 68781024HCID 68781024, compound

Product 1

HCID 68779108HCID 68779108, compound

Sources & evidence

ORD record
ord-891e909f674d4e7684791bb6370f9aab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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