Acetone → HCID 14254547, compound

HRID 205575Notes

Reaction equation

HRID 205575 reaction equation
[C:21](=[O:22])([O-:23])[O-:24].[CH3:33][C:34](=[O:35])[CH3:36].[Cl:1][c:2]1[cH:3][c:4]([OH:20])[cH:5][c:6]2[c:7]1[c:8](=[O:19])[c:9](-[c:12]1[c:13]([Cl:18])[cH:14][cH:15][cH:16][cH:17]1)[cH:10][o:11]2.[Cl:27][CH2:28][C:29]#[N:30].[I-:32].[K+:25].[K+:26].[K+:31].[OH2:37]>>[Cl:1][c:2]1[cH:3][c:4]([O:20][CH2:28][C:29]#[N:30])[cH:5][c:6]2[c:7]1[c:8](=[O:19])[c:9](-[c:12]1[c:13]([Cl:18])[cH:14][cH:15][cH:16][cH:17]1)[cH:10][o:11]2

Participants

8

Reactant 7

HCID 180AcetoneHCID 813Potassium Cation3×HCID 962WaterHCID 7856ChloroacetonitrileHCID 19660Carbonate IonHCID 30165Iodide IonHCID 14254498HCID 14254498, compound

Product 1

HCID 14254547HCID 14254547, compound

Sources & evidence

ORD record
ord-6fff019eb66248c0a75668c1935ea890
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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