Acetonitrile → HCID 57422492, compound

HRID 1229786Notes

Reaction equation

HRID 1229786 reaction equation
[CH3:1][c:2]1[n:3][o:4][c:5]([CH3:14])[c:6]1[CH2:7][n:8]1[n:9][cH:10][c:11]([NH2:13])[cH:12]1.[CH3:21][C:22]#[N:23].[Cl:15][CH2:16][CH2:17][N:18]=[C:19]=[O:20]>>[CH3:1][c:2]1[n:3][o:4][c:5]([CH3:14])[c:6]1[CH2:7][n:8]1[n:9][cH:10][c:11]([NH:13][C:19]([NH:18][CH2:17][CH2:16][Cl:15])=[O:20])[cH:12]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 160352-Chloroethyl isocyanateHCID 337812431-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-amine

Product 1

HCID 57422492HCID 57422492, compound

Sources & evidence

ORD record
ord-0166e86c006a45df9758b0e6e1fd0a32
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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