Acetonitrile → HCID 178485004, compound

HRID 139711Notes

Reaction equation

HRID 139711 reaction equation
[CH3:12][S:13][C:14]([S:15](=[O:16])(=[O:17])[O-:18])=[N:19][CH3:20].[CH3:1][c:2]1[c:3]([CH2:7][S:8][CH2:9][CH2:10][NH2:11])[n:4][cH:5][nH:6]1.[CH3:21][C:22]#[N:23]>>[CH3:1][c:2]1[c:3]([CH2:7][S:8][CH2:9][CH2:10][N:11]=[C:14]([S:15](=[O:16])(=[O:17])[OH:18])[NH:19][CH3:20])[n:4][cH:5][nH:6]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 6655684-(((2-Aminoethyl)thio)methyl)-5-methylimidazoleHCID 867370781-Methylthio-1-methyliminomethanesulphonate

Product 1

HCID 178485004HCID 178485004, compound

Sources & evidence

ORD record
ord-c6a8e6ceb6ee4ebf8055faf40816e571
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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