Acetonitrile → 1-(2,6-Dimethylphenylaminocarbonyl)-3-isopropylhexahydropyrimidine

HRID 120902

Reaction equation

HRID 120902 reaction equation
[CH3:1][c:2]1[c:3]([N:9]=[C:10]=[O:11])[c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[CH3:21][C:22]#[N:23].[CH:12]([CH3:13])([CH3:14])[N:15]1[CH2:16][NH:17][CH2:18][CH2:19][CH2:20]1>>[CH3:1][c:2]1[c:3]([NH:9][C:10](=[O:11])[N:17]2[CH2:16][N:15]([CH:12]([CH3:13])[CH3:14])[CH2:20][CH2:19][CH2:18]2)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 987872,6-Xylyl isocyanateHCID 12676275N-isopropylhexahydropyrimidine

Product 1

HCID 148330441-(2,6-Dimethylphenylaminocarbonyl)-3-isopropylhexahydropyrimidine

Sources & evidence

ORD record
ord-b7cf178418de418f81f5b31db30cb5c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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