Acetate → HCID 178452390, compound

HRID 288577Notes

Reaction equation

HRID 288577 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([c:21]2[cH:22][cH:23][c:24]([Br:27])[cH:25][cH:26]2)[CH2:10][N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12][CH2:13]1.[C:40]([P:41]([C:42]([CH3:43])([CH3:44])[CH3:45])[c:46]1[cH:47][cH:48][cH:49][cH:50][c:51]1-[c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)([CH3:58])([CH3:59])[CH3:60].[C:68]([O-:69])(=[O:70])[CH3:71].[C:73]([O-:74])(=[O:75])[CH3:76].[CH2:28]1[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]1.[CH3:34][C:35]([CH3:36])([O-:37])[CH3:38].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[Na+:39].[OH2:83].[Pd+2:72]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([c:21]2[cH:22][cH:23][c:24]([N:31]3[CH2:30][CH2:29][CH2:28][CH2:33][CH2:32]3)[cH:25][cH:26]2)[CH2:10][N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12][CH2:13]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 8082PiperidineHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27342152-(Di-tert-butylphosphino)biphenylHCID 45749132-Methylpropan-2-olateHCID 67117408HCID 67117408, compound

Product 1

HCID 178452390HCID 178452390, compound

Sources & evidence

ORD record
ord-ff2e9061eb234d4e8900a9d598d70c0b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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