Heptane → Ethyl 2-chloro-2-fluorocyclopropanecarboxylate

HRID 1539062Notes

Reaction equation

[C:1]([C:2]1=[N:10][CH:5]([C:6]([CH3:7])([CH3:8])[CH3:9])[CH2:4][O:3]1)([C:11]1=[N:19][CH:14]([C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:13][O:12]1)([CH3:20])[CH3:21].[CH3:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH3:40].[Cl:22][C:23](=[CH2:24])[F:25].[Cu+2:49].[F:41][C:42]([F:43])([F:44])[S:45]([O-:46])(=[O:47])=[O:48].[F:50][C:51]([F:52])([F:53])[S:54]([O-:55])(=[O:56])=[O:57].[N+:26](=[N-:27])=[CH:28][C:29](=[O:30])[O:31][CH2:32][CH3:33]>>[Cl:22][C:23]1([F:25])[CH2:24][CH:28]1[C:29](=[O:30])[O:31][CH2:32][CH3:33]

Participants

Reactant 6

HCID 8900Heptane

HCID 12192Ethyl diazoacetate

HCID 27099Cupric cation

HCID 753441-Chloro-1-fluoroethene

HCID 4952764-Tert-butyl-2-[1-(4-tert-butyl-4,5-dihydrooxazol-2-yl)-1-methyl-ethyl]-4,5-dihydrooxazole

HCID 2758875Trifluoromethanesulfonate2×

Product 1

HCID 9793930Ethyl 2-chloro-2-fluorocyclopropanecarboxylate

Sources & evidence

ORD record: ord-52e4bf83fcc34effb828f5d310913ad5
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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