Phenethyl isocyanate → HCID 57422421, compound

HRID 686181Notes

Reaction equation

HRID 686181 reaction equation
[CH2:15]([CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[N:23]=[C:24]=[O:25].[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>>[CH3:1][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:24]([NH:23][CH2:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)=[O:25])[cH:12]1

Participants

3

Reactant 2

HCID 160602Phenethyl isocyanateHCID 337812431-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-amine

Product 1

HCID 57422421HCID 57422421, compound

Sources & evidence

ORD record
ord-ccb7851581464b26b44ad28e42e7ccbb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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