Acetate → 1-Cyclopropyl-3-nitro-1H-pyrazole

HRID 2146937Notes

Reaction equation

HRID 2146937 reaction equation
[C:33]([O-:34])(=[O:35])[CH3:36].[C:38]([O-:39])(=[O:40])[CH3:41].[CH:9]1([B:12]([OH:13])[OH:14])[CH2:10][CH2:11]1.[Cl:42][CH:43]([Cl:44])[CH3:45].[Cu+2:37].[N+:1](=[O:2])([O-:3])[c:4]1[n:5][nH:6][cH:7][cH:8]1.[Na+:15].[Na+:16].[O-:17][C:18](=[O:19])[O-:20].[n:21]1[cH:22][cH:23][cH:24][cH:25][c:26]1-[c:27]1[cH:28][cH:29][cH:30][cH:31][n:32]1>>[N+:1](=[O:2])([O-:3])[c:4]1[n:5][n:6]([CH:9]2[CH2:10][CH2:11]2)[cH:7][cH:8]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ion2×HCID 14742,2'-BipyridineHCID 63651,1-DichloroethaneHCID 19660Carbonate IonHCID 27099Cupric cationHCID 2760897Cyclopropylboronic acidHCID 178526745HCID 178526745, compound

Product 1

HCID 509999011-Cyclopropyl-3-nitro-1H-pyrazole

Sources & evidence

ORD record
ord-878dee7efe2b45a990d6e079ba1f15b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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