Acetonitrile → N-[2,6-bis(1-methylethyl)phenyl]-N'-(5-dodecyl-3-isoxazolyl)urea

HRID 96174

Reaction equation

HRID 96174 reaction equation
[CH3:34][C:35]#[N:36].[CH:19]([CH3:20])([CH3:21])[c:22]1[c:23]([N:31]=[C:32]=[O:33])[c:24]([CH:28]([CH3:29])[CH3:30])[cH:25][cH:26][cH:27]1.[NH2:1][c:2]1[n:3][o:4][c:5]([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[cH:6]1>>[NH:1]([c:2]1[n:3][o:4][c:5]([CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[cH:6]1)[C:32]([NH:31][c:23]1[c:22]([CH:19]([CH3:20])[CH3:21])[cH:27][cH:26][cH:25][c:24]1[CH:28]([CH3:29])[CH3:30])=[O:33]

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 922592,6-Diisopropylphenyl isocyanateHCID 198120213-Amino-5-dodecylisoxazole

Product 1

HCID 19812033N-[2,6-bis(1-methylethyl)phenyl]-N'-(5-dodecyl-3-isoxazolyl)urea

Sources & evidence

ORD record
ord-17710dcbeeb642a08d7e7be69295ff9f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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