Acetone → 2-Cyano-3-(diethoxythiophosphoryloxy)-5-methyl-thiophene

HRID 679209Notes

Reaction equation

HRID 679209 reaction equation
[C:16](#[N:17])[c:18]1[s:19][c:20]([CH3:24])[cH:21][c:22]1[OH:23].[C:1](=[O:2])([O-:3])[O-:4].[CH3:25][C:26](=[O:27])[CH3:28].[K+:5].[K+:6].[P:7](=[S:8])([O:9][CH2:10][CH3:11])([O:12][CH2:13][CH3:14])[Cl:15]>>[P:7](=[S:8])([O:9][CH2:10][CH3:11])([O:12][CH2:13][CH3:14])[O:23][c:22]1[c:18]([C:16]#[N:17])[s:19][c:20]([CH3:24])[cH:21]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium Cation2×HCID 17305O,O-diethyl phosphorochloridothioateHCID 19660Carbonate IonHCID 213179292-Cyano-3-hydroxy-5-methyl-thiophene

Product 1

HCID 542460502-Cyano-3-(diethoxythiophosphoryloxy)-5-methyl-thiophene

Sources & evidence

ORD record
ord-b0cc05ddd8b44b35999d3c884b0f3adf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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