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Nitromethane → (+/-)-(3,3-Dimethyl-1-nitromethyl-cyclopentyl)-acetic Acid Ethyl Ester

HRID 1226319
Notes
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Reaction equation

HRID 1226319 reaction equation
[CH2:19]([CH3:20])[O:21][C:22]([CH:23]=[C:24]1[CH2:25][C:26]([CH3:29])([CH3:30])[CH2:27][CH2:28]1)=[O:31].[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:2][CH2:3][CH2:4][CH2:5][N+:6]([CH2:7][CH2:8][CH2:9][CH3:10])([CH2:11][CH2:12][CH2:13][CH3:14])[CH2:15][CH2:16][CH2:17][CH3:18].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[F-:1].[N+:32](=[O:33])([O-:34])[CH3:35]>>[CH2:19]([CH3:20])[O:21][C:22]([CH2:23][C:24]1([CH2:35][N+:32](=[O:33])[O-:34])[CH2:25][C:26]([CH3:29])([CH3:30])[CH2:27][CH2:28]1)=[O:31]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 6375NitromethaneHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 53703257(3,3-Dimethyl-cyclopentylidene)-acetic Acid Ethyl Ester

Product 1

HCID 54521414
(+/-)-(3,3-Dimethyl-1-nitromethyl-cyclopentyl)-acetic Acid Ethyl Ester

Sources & evidence

ORD record
ord-895b6ee0980b4bd4a3603acf0e755b91
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes