3,5-Dimethylisoxazole-4-isocyanate → 1-(3,5-Dimethyl-isoxazol-4-yl)-3-{4-[2-(2-methyl-5-oxo-4,4-diphenyl-4,5-dihydro-imidazol-1-yl)-acetyl]-phenyl}-urea

HRID 2317208Notes

Reaction equation

HRID 2317208 reaction equation
[N:30](=[C:31]=[O:32])[c:33]1[c:34]([CH3:39])[n:35][o:36][c:37]1[CH3:38].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][N:10]2[C:11]([CH3:28])=[N:12][C:13]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[C:14]2=[O:15])=[O:29])[cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][N:10]2[C:11]([CH3:28])=[N:12][C:13]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[C:14]2=[O:15])=[O:29])[cH:6][cH:7]1)[C:31]([NH:30][c:33]1[c:34]([CH3:39])[n:35][o:36][c:37]1[CH3:38])=[O:32]

Participants

3

Reactant 2

HCID 27362663,5-Dimethylisoxazole-4-isocyanateHCID 684681843-[2-(4-Amino-phenyl)-2-oxo-ethyl]-2-methyl-5,5-diphenyl-3,5-dihydro-imidazol-4-one

Product 1

HCID 252274751-(3,5-Dimethyl-isoxazol-4-yl)-3-{4-[2-(2-methyl-5-oxo-4,4-diphenyl-4,5-dihydro-imidazol-1-yl)-acetyl]-phenyl}-urea

Sources & evidence

ORD record
ord-7bd217e429c94dd0860b2d35e0cf0c3f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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