Acetone → Iodide Ion

HRID 683185Notes

Reaction equation

HRID 683185 reaction equation
[C:3](#[N:4])[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][S:10][c:11]1[n:12][s:13][n:14][c:15]1-[c:16]1[cH:17][n:18][cH:19][cH:20][cH:21]1.[CH3:1][I:2].[CH3:22][C:23](=[O:24])[CH3:25]>>[CH3:1][n+:18]1[cH:17][c:16](-[c:15]2[c:11]([S:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][C:3]#[N:4])[n:12][s:13][n:14]2)[cH:21][cH:20][cH:19]1.[I-:2]

Participants

5

Reactant 3

HCID 180AcetoneHCID 6328Methyl iodideHCID 196125283-(3-(5-Cyanopentylthio)-1,2,5-thiadiazol-4-yl)pyridine

Product 2

HCID 30165Iodide IonHCID 196125536-[[4-(1-Methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]sulfanyl]hexanenitrile

Sources & evidence

ORD record
ord-4e23763b29d24afda611f3d93f674114
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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