Acetonitrile → N-[2-[[[5-(dimethylamino)methyl-2-furanyl]methyl]thio]ethyl]-N'-methylurea

HRID 116233Notes

Reaction equation

HRID 116233 reaction equation
[C:19]([NH:20][NH2:21])(=[O:22])[c:23]1[c:24]([C:29]([NH:30][NH2:31])=[O:32])[cH:25][cH:26][cH:27][cH:28]1.[CH3:1][N:2]=[C:3]=[O:4].[CH3:33][C:34]#[N:35].[CH3:5][N:6]([CH3:7])[CH2:8][c:9]1[cH:10][cH:11][c:12]([CH2:14][S:15][CH2:16][CH2:17][NH2:18])[o:13]1>>[CH3:1][NH:2][C:3](=[O:4])[NH:18][CH2:17][CH2:16][S:15][CH2:14][c:12]1[cH:11][cH:10][c:9]([CH2:8][N:6]([CH3:5])[CH3:7])[o:13]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 12228Methyl IsocyanateHCID 1622035-(((2-Aminoethyl)thio)methyl)-N,N-dimethyl-2-furanmethanamineHCID 11367556Phthalohydrazide

Product 1

HCID 13432083N-[2-[[[5-(dimethylamino)methyl-2-furanyl]methyl]thio]ethyl]-N'-methylurea

Sources & evidence

ORD record
ord-7e30b1c51f2b48afbaee45db917102d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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