Acetate → HCID 68725209, compound

HRID 2127453Notes

Reaction equation

HRID 2127453 reaction equation
[CH2:1]([CH:2]=[CH2:3])[C:4]1([c:20]2[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]2)[CH2:5][CH2:6][N:7]([CH:11]([CH3:12])[c:13]2[cH:14][cH:15][c:16]([Br:19])[cH:17][cH:18]2)[C:8](=[O:10])[O:9]1.[CH3:60][CH2:61][O:62][C:63]([CH3:64])=[O:65].[CH:27]1([B:30]([OH:31])[OH:32])[CH2:28][CH2:29]1.[CH:33]1([P:34]([CH:35]2[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]2)[CH:41]2[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]2)[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]1.[K+:57].[K+:58].[K+:59].[O-:67][C:68]([CH3:69])=[O:70].[O-:71][C:72]([CH3:73])=[O:74].[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[OH2:80].[P:52]([O-:53])([O-:54])([O-:55])=[O:56].[Pd+2:66]>>[CH2:1]([CH:2]=[CH2:3])[C:4]1([c:20]2[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]2)[CH2:5][CH2:6][N:7]([CH:11]([CH3:12])[c:13]2[cH:14][cH:15][c:16]([CH:27]3[CH2:28][CH2:29]3)[cH:17][cH:18]2)[C:8](=[O:10])[O:9]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2760897Cyclopropylboronic acidHCID 687239233-[1-(4-Bromophenyl)ethyl]-6-(4-fluorophenyl)-6-prop-2-enyl-1,3-oxazinan-2-one

Product 1

HCID 68725209HCID 68725209, compound

Sources & evidence

ORD record
ord-b270e3c4e4a94976bf9023d3ced2a1e6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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