Methanol → Acetonitrile

HRID 700150

Reaction equation

HRID 700150 reaction equation
[C:1]([CH3:2])#[N:3].[CH3:26][OH:27].[CH3:4][NH+:5]([CH3:6])[CH3:7].[CH3:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][O:21][S:22]([O-:23])(=[O:24])=[O:25].[Na+:8]>>[C:1]([CH3:2])#[N:3].[CH3:4][NH+:5]([CH3:6])[CH3:7].[CH3:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][O:21][S:22](=[O:23])(=[O:24])[O-:25]

Participants

8

Reactant 5

HCID 887MethanolHCID 923Sodium ionHCID 6342AcetonitrileHCID 3782034TrimethylammoniumHCID 4329331Npc315034

Product 3

HCID 6342AcetonitrileHCID 3782034TrimethylammoniumHCID 4329331Npc315034

Sources & evidence

ORD record
ord-f8c260b3cc7240cfa59607f2ccefd0b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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