Ethanol → 2-[N-(3-chloroprop-2-enoxy)-C-ethylcarbonimidoyl]-5-(1,3-dimethylpyrazol-4-yl)cyclohexane-1,3-dione

HRID 1138544Notes

Reaction equation

HRID 1138544 reaction equation
[CH3:1][n:2]1[n:3][c:4]([CH3:19])[c:5]([CH:7]2[CH2:8][C:9](=[O:18])[CH:10]([C:14]([CH2:15][CH3:16])=[O:17])[C:11](=[O:13])[CH2:12]2)[cH:6]1.[CH3:26][CH2:27][OH:28].[Cl:20][CH:21]=[CH:22][CH2:23][O:24][NH2:25]>>[CH3:1][n:2]1[n:3][c:4]([CH3:19])[c:5]([CH:7]2[CH2:8][C:9](=[O:18])[CH:10]([C:14]([CH2:15][CH3:16])=[N:25][O:24][CH2:23][CH:22]=[CH:21][Cl:20])[C:11](=[O:13])[CH2:12]2)[cH:6]1

Participants

4

Reactant 3

HCID 702EthanolHCID 3036833O-(3-Chloroallyl)hydroxylamineHCID 145764925-(1,3-dimethyl-1H-pyrazol-4-yl)-2-propionylcyclohexane-1,3-dione

Product 1

HCID 539635782-[N-(3-chloroprop-2-enoxy)-C-ethylcarbonimidoyl]-5-(1,3-dimethylpyrazol-4-yl)cyclohexane-1,3-dione

Sources & evidence

ORD record
ord-b789a553f9674427b0c7eea151598815
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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