Acetone → Perchlorate

HRID 136118Notes

Reaction equation

HRID 136118 reaction equation
[CH2:20]([O:21][CH2:22][CH3:23])[CH3:24].[CH3:13][S:14][c:15]1[s+:16][cH:17][cH:18][s:19]1.[CH3:25][C:26]([CH3:27])=[O:28].[Cl+3:8]([O-:9])([O-:10])([O-:11])[O-:12].[NH:1]1[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1>>[Cl+3:8]([O-:9])([O-:10])([O-:11])[O-:12].[N+:1]1(=[c:15]2[s:16][cH:17][cH:18][s:19]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1

Participants

7

Reactant 5

HCID 180AcetoneHCID 3283Diethyl EtherHCID 8119AzepaneHCID 123351PerchlorateHCID 120762262-Methylsulfanyl-1,3-dithiol-1-ium

Product 2

HCID 123351PerchlorateHCID 136549671-(1,3-Dithiol-2-ylidene)azepan-1-ium

Sources & evidence

ORD record
ord-a84960641ccc491c94dc98dc8fed54e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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