Hydrochloric Acid → 4-((4-isocyanato-1H-pyrazol-1-yl)methyl)-3,5-dimethylisoxazole

HRID 211176

Reaction equation

HRID 211176 reaction equation
[C:16]([O:17][c:26]1[cH:27][cH:28][cH:29][cH:30][n:31]1)(=[O:18])[O:19][c:20]1[cH:21][cH:22][cH:23][cH:24][n:25]1.[CH3:2][c:3]1[n:4][o:5][c:6]([CH3:15])[c:7]1[CH2:8][n:9]1[n:10][cH:11][c:12]([NH2:14])[cH:13]1.[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[Cl:39][CH2:40][Cl:41].[ClH:1]>>[CH3:2][c:3]1[n:4][o:5][c:6]([CH3:15])[c:7]1[CH2:8][n:9]1[n:10][cH:11][c:12]([N:14]=[C:16]=[O:17])[cH:13]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 2757370Carbonic acid di-2-pyridyl esterHCID 337812431-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-amine

Product 1

HCID 584095734-((4-isocyanato-1H-pyrazol-1-yl)methyl)-3,5-dimethylisoxazole

Sources & evidence

ORD record
ord-ece1bc43caba4bc8ba4dee3ab702f6f3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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