Acetone → 5-(3-Nitro-pyrazol-1-ylmethyl)-furan-2-carboxylic acid methyl ester

HRID 310641

Reaction equation

HRID 310641 reaction equation
[CH3:11][O:12][C:13](=[O:14])[c:15]1[o:16][c:17]([CH2:20][Cl:21])[cH:18][cH:19]1.[CH3:28][C:29](=[O:30])[CH3:31].[K+:22].[K+:23].[N+:3](=[O:4])([O-:5])[c:6]1[cH:7][cH:8][n:9][nH:10]1.[N:1]#[N:2].[O-:24][C:25]([O-:26])=[O:27].[OH2:32]>>[N+:3](=[O:4])([O-:5])[c:6]1[cH:7][cH:8][n:9]([CH2:20][c:17]2[o:16][c:15]([C:13]([O:12][CH3:11])=[O:14])[cH:19][cH:18]2)[n:10]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 813Potassium Cation2×HCID 947NitrogenHCID 962WaterHCID 19660Carbonate IonHCID 75065Methyl 5-(chloromethyl)-2-furoateHCID 1234193-Nitropyrazole

Product 1

HCID 242256295-(3-Nitro-pyrazol-1-ylmethyl)-furan-2-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-9c3083a4a2e54614b3e2faef2aac140b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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