3,5-Dimethylisoxazole-4-isocyanate → HCID 16667231, compound

HRID 308256Notes

Reaction equation

HRID 308256 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]([N:8]2[CH2:9][CH2:10][CH:11]([N:14]([C:15]([CH:16]([CH2:17][CH3:18])[CH2:19][CH3:20])=[O:21])[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[CH2:12][CH2:13]2)[cH:6][cH:7]1>>[NH:1]([c:2]1[cH:3][c:4]([F:28])[c:5]([N:8]2[CH2:9][CH2:10][CH:11]([N:14]([C:15]([CH:16]([CH2:17][CH3:18])[CH2:19][CH3:20])=[O:21])[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[CH2:12][CH2:13]2)[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 69305096N-[1-(4-amino-2-fluoro-phenyl)-piperidin-4-yl]-2-ethyl-N-phenyl-butyramide

Product 1

HCID 16667231HCID 16667231, compound

Sources & evidence

ORD record
ord-261b09bb9efa4c81bd2c87677ee79e42
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…