Acetate → HCID 69479698, compound

HRID 1120501Notes

Reaction equation

HRID 1120501 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([Cl:8])[cH:6][cH:7]1.[C:43]([O-:44])(=[O:45])[CH3:46].[C:48]([O-:49])(=[O:50])[CH3:51].[CH3:24][C:25]([CH3:26])([O-:27])[CH3:28].[CH3:30][CH2:31][O:32][C:33](=[O:34])[CH3:35].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[NH:9]1[CH2:10][CH2:11][CH:12]([N:15]([C:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])[CH3:23])[CH2:13][CH2:14]1.[Na+:29].[OH2:52].[Pd+2:47]>>[c:2]1([N:9]2[CH2:10][CH2:11][CH:12]([N:15]([C:16]([O:17][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:22])[CH3:23])[CH2:13][CH2:14]2)[cH:3][cH:4][c:5]([Cl:8])[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 7806p-BromochlorobenzeneHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27568064-N-Boc-4-N-Methyl-aminopiperidineHCID 45749132-Methylpropan-2-olate

Product 1

HCID 69479698HCID 69479698, compound

Sources & evidence

ORD record
ord-4c845c9eca2f4580bb32604dd6ca1eaa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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