Acetone → HCID 58797771, compound

HRID 1547729Notes

Reaction equation

HRID 1547729 reaction equation
[C:23](=[O:24])([O-:25])[O-:26].[CH3:31][C:32](=[O:33])[CH3:34].[Cl:13][c:14]1[cH:15][cH:16][c:17]([S:20][CH2:21][Cl:22])[cH:18][cH:19]1.[I-:30].[K+:27].[K+:28].[Na+:29].[OH:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([C:9]#[N:10])[s:8]2)[cH:11][cH:12]1>>[O:1]([c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([C:9]#[N:10])[s:8]2)[cH:11][cH:12]1)[CH2:21][S:20][c:17]1[cH:16][cH:15][c:14]([Cl:13])[cH:19][cH:18]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 813Potassium Cation2×HCID 923Sodium ionHCID 19660Carbonate IonHCID 23610Benzene, 1-chloro-4-((chloromethyl)thio)-HCID 30165Iodide IonHCID 98819122-Cyano-6-hydroxybenzothiazole

Product 1

HCID 58797771HCID 58797771, compound

Sources & evidence

ORD record
ord-fc8bac19551d433199097a4dbe8e51fd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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