3,5-Dimethylisoxazole-4-isocyanate → HCID 25255471, compound

HRID 286864Notes

Reaction equation

HRID 286864 reaction equation
[N:29](=[C:30]=[O:31])[c:32]1[c:33]([CH3:38])[n:34][o:35][c:36]1[CH3:37].[NH2:1][c:2]1[cH:3][c:4]([F:28])[c:5]([C:8]([CH2:9][N:10]2[C:11]([CH3:26])=[N:12][C:13]([CH2:16][CH2:17][CH3:18])([c:19]3[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]3)[C:14]2=[O:15])=[O:27])[cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][c:4]([F:28])[c:5]([C:8]([CH2:9][N:10]2[C:11]([CH3:26])=[N:12][C:13]([CH2:16][CH2:17][CH3:18])([c:19]3[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]3)[C:14]2=[O:15])=[O:27])[cH:6][cH:7]1)[C:30]([NH:29][c:32]1[c:33]([CH3:38])[n:34][o:35][c:36]1[CH3:37])=[O:31]

Participants

3

Reactant 2

HCID 27362663,5-Dimethylisoxazole-4-isocyanateHCID 68462570HCID 68462570, compound

Product 1

HCID 25255471HCID 25255471, compound

Sources & evidence

ORD record
ord-1e509238739f4b358df0daac7fdb6e47
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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