Potassium Cation → HCID 54251909, compound

HRID 195351Notes

Reaction equation

HRID 195351 reaction equation
[C:20]([CH2:21][CH2:22][C:23](=[O:24])[O-:25])(=[O:26])[O:27][CH2:28][CH3:29].[C:36]([OH:37])([CH3:38])([CH3:39])[CH3:40].[CH3:30][C:31]([CH3:32])([O-:33])[CH3:34].[CH3:41][CH2:42][O:43][CH2:44][CH3:45].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[c:8]2[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]2)[cH:18][cH:19]1.[K+:35].[OH2:46]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6]([c:8]2[cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]2)=[C:21]([C:20](=[O:26])[O:27][CH2:28][CH3:29])[CH2:22][C:23](=[O:24])[OH:25])[cH:18][cH:19]1

Participants

8

Reactant 7

HCID 813Potassium CationHCID 962WaterHCID 3283Diethyl EtherHCID 6386tert-ButanolHCID 17119674-Ethoxy-4-oxobutanoateHCID 45749132-Methylpropan-2-olateHCID 11748443HCID 11748443, compound

Product 1

HCID 54251909HCID 54251909, compound

Sources & evidence

ORD record
ord-c07be64714414e5180a4504265fb7616
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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