Acetone → HCID 86599499, compound

HRID 1229879Notes

Reaction equation

HRID 1229879 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]#[C:5][c:6]1[cH:7][c:8]([O:25][C:26]([F:27])([F:28])[F:29])[cH:9][c:10]2[c:15]1[O:14][CH:13]([C:16]([F:17])([F:18])[F:19])[C:12]([C:20](=[O:21])[O:22][CH2:23][CH3:24])=[CH:11]2.[CH3:46][C:47](=[O:48])[CH3:49].[K+:40].[K+:41].[Na+:39].[O-:35][C:36]([OH:37])=[O:38].[O-:42][C:43]([O-:44])=[O:45].[OH2:50].[S:30]([OH:31])(=[O:32])(=[O:33])[OH:34]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][c:8]([O:25][C:26]([F:27])([F:28])[F:29])[cH:9][c:10]2[c:15]1[O:14][CH:13]([C:16]([F:17])([F:18])[F:19])[C:12]([C:20](=[O:21])[O:22][CH2:23][CH3:24])=[CH:11]2)=[O:31]

Participants

9

Reactant 8

HCID 180AcetoneHCID 769Bicarbonate IonHCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 1118Sulfuric AcidHCID 19660Carbonate IonHCID 86599498HCID 86599498, compound

Product 1

HCID 86599499HCID 86599499, compound

Sources & evidence

ORD record
ord-d74dd1e6db974ddbb4d6bfe73da56e4f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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