Acetate → Ethyl 1,4-diazepane-1-carboxylate

HRID 2343989Notes

Reaction equation

HRID 2343989 reaction equation
[CH3:17][C:18](=[O:19])[O-:20].[CH3:8].[Cl:10][C:11](=[O:12])[O:13][CH2:14][CH3:15].[ClH:9].[NH:1]1[CH2:2][CH2:3][NH:4][CH2:5][CH2:6][CH2:7]1.[Na+:16].[Na+:22].[OH-:21].[OH2:23]>>[N:1]1([C:11](=[O:12])[O:13][CH2:14][CH3:15])[CH2:2][CH2:3][NH:4][CH2:5][CH2:6][CH2:7]1

Participants

9

Reactant 8

HCID 175AcetateHCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 10928Ethyl chloroformateHCID 68163Hexahydro-1,4-diazepineHCID 3034819Methyl

Product 1

HCID 15289249Ethyl 1,4-diazepane-1-carboxylate

Sources & evidence

ORD record
ord-6b8f5d3dd9d74c44af7f04028aabfb71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…