Hydrochloric Acid → Tert-butyl-3,3-dinitroazetidine

HRID 174560Notes

Reaction equation

HRID 174560 reaction equation
[C:2]([CH3:3])([CH3:4])([CH3:5])[N:6]1[CH2:7][C:8]([N+:10](=[O:11])[O-:12])([CH2:13][OH:14])[CH2:9]1.[ClH:1].[K:34].[N:17](=[O:18])[O-:19].[N:35]#[C:36][Fe-4:37]([C:38]#[N:39])([C:40]#[N:41])([C:42]#[N:43])([C:44]#[N:45])[C:46]#[N:47].[Na+:16].[Na+:20].[Na+:31].[Na+:32].[OH-:15].[OH2:33].[S:21]([O:22][O:23][S:24]([O-:25])(=[O:26])=[O:27])([O-:28])(=[O:29])=[O:30]>>[C:2]([CH3:3])([CH3:4])([CH3:5])[N:6]1[CH2:7][C:8]([N+:10](=[O:11])[O-:12])([N+:17](=[O:18])[O-:19])[CH2:9]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 923Sodium ion4×HCID 946NitriteHCID 961HydroxideHCID 962WaterHCID 107879PeroxydisulfateHCID 1504809(1-Tert-butyl-3-nitroazetidin-3-yl)methanolHCID 5462222PotassiumHCID 178511491HCID 178511491, compound

Product 1

HCID 10954639Tert-butyl-3,3-dinitroazetidine

Sources & evidence

ORD record
ord-a1ace3d4fde74c0cb8d6f0e4d615fe66
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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