Acetone → HCID 21877079, compound

HRID 157371Notes

Reaction equation

HRID 157371 reaction equation
[C:23](=[O:24])([O-:25])[O-:26].[CH3:31][C:32](=[O:33])[CH3:34].[Cl:14][c:15]1[cH:16][c:17]([SH:22])[cH:18][c:19]([Cl:21])[cH:20]1.[Cl:1][CH:2]([C:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])=[O:9])[C:10]([CH2:11][CH3:12])=[O:13].[I-:30].[K+:27].[K+:28].[Na+:29].[OH2:35]>>[CH:2]([C:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])=[O:9])([C:10]([CH2:11][CH3:12])=[O:13])[S:22][c:17]1[cH:16][c:15]([Cl:14])[cH:20][c:19]([Cl:21])[cH:18]1

Participants

9

Reactant 8

HCID 180AcetoneHCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 19660Carbonate IonHCID 30165Iodide IonHCID 27360963,5-DichlorobenzenethiolHCID 3006758ethyl 3-chloro-2,4-dioxohexanoate

Product 1

HCID 21877079HCID 21877079, compound

Sources & evidence

ORD record
ord-d417e99864f445c381af62fa612dff3e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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