Acetonitrile → Acetonitrile

HRID 2345159Notes

Reaction equation

HRID 2345159 reaction equation
[C:12]([CH3:13])#[N:14].[CH3:15][NH+:16]([CH3:17])[CH3:18].[O:31]1[CH2:32][CH2:33][CH2:34][O:35][O:36]1.[c:19]1([CH:25]([N:26]([CH3:27])[CH3:28])[C:29]#[N:30])[cH:20][cH:21][cH:22][cH:23][cH:24]1.[c:1]1([CH3:11])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[O-:10])[cH:5][cH:6]1>>[C:12]([CH3:13])#[N:14].[CH3:15][N+:16]([CH3:17])([CH3:18])[c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[c:1]1([CH3:11])[cH:2][cH:3][c:4]([S:7](=[O:8])(=[O:9])[O-:10])[cH:5][cH:6]1

Participants

8

Reactant 5

HCID 6342AcetonitrileHCID 13227827-36-1HCID 85570p-ToluenesulfonateHCID 3782034TrimethylammoniumHCID 19593658CID 19593658

Product 3

HCID 6342AcetonitrileHCID 15914PhenyltrimethylammoniumHCID 85570p-Toluenesulfonate

Sources & evidence

ORD record
ord-c7037c99aad54f6094cd8f62fb4d1f21
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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