Calcium Cation → 1,1-Diethoxy-4-methyl-2,4-hexadien-6-ol

Reaction equation

[C:25](=[O:26])([O-:27])[O-:28].[C:32](=[O:33])([O-:34])[O-:35].[C:36](=[O:37])([O-:38])[O-:39].[CH2:1]([CH3:2])[O:3][CH:4]([C:5]#[C:6][C:7](=[CH:8][CH2:9][OH:10])[CH3:11])[O:12][CH2:13][CH3:14].[Ca+2:29].[Pb+2:31].[Pd+2:30].[cH:15]1[cH:16][c:17]2[c:18]([n:19][cH:20][cH:21][cH:22]2)[cH:23][cH:24]1>>[CH2:1]([CH3:2])[O:3][CH:4]([CH:5]=[CH:6][C:7](=[CH:8][CH2:9][OH:10])[CH3:11])[O:12][CH2:13][CH3:14]

Participants

Reactant 6

HCID 271Calcium Cation

HCID 7047Quinoline

HCID 19660Carbonate Ion3×

HCID 73212Lead, elemental

HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)

HCID 544982151,1-Diethoxy-4-methyl-4-hexen-2-yn-6-ol

Product 1

HCID 54456094

Sources & evidence

ORD record: ord-58924fa42e4f45ebb69f2caba3951a2c
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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