Acetone → 5-Chloro-3-[(phenylthio)methyl]-1,2,4-thiadiazole

HRID 162492

Reaction equation

HRID 162492 reaction equation
[C:18](=[O:19])([O-:20])[O-:21].[CH3:24][C:25](=[O:26])[CH3:27].[CH3:28][CH2:29][O:30][C:31]([CH3:32])=[O:33].[Cl:3][c:4]1[n:5][c:6]([CH2:9][Cl:10])[n:7][s:8]1.[I-:1].[Na+:22].[Na+:23].[Na+:2].[OH2:34].[SH:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1>>[Cl:3][c:4]1[n:5][c:6]([CH2:9][S:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[n:7][s:8]1

Participants

9

Reactant 8

HCID 180AcetoneHCID 923Sodium ion3×HCID 962WaterHCID 7969ThiophenolHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 30165Iodide IonHCID 3326105-Chloro-3-(chloromethyl)-1,2,4-thiadiazole

Product 1

HCID 210814585-Chloro-3-[(phenylthio)methyl]-1,2,4-thiadiazole

Sources & evidence

ORD record
ord-26645bf2167541a6a182c319a502c953
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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