Ammonia → Hydrochloric Acid

HRID 303388Notes

Reaction equation

HRID 303388 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1([C:11]([NH:12][C:13]2([C:16]#[N:17])[CH2:14][CH2:15]2)=[O:18])[CH2:9][CH2:10]1)=[O:19].[CH3:20][CH2:21][O-:22].[CH3:27][CH2:28][OH:29].[Cl-:24].[NH3:26].[NH4+:25].[Na+:23]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1([C:11]([NH:12][C:13]2([C:16]([NH2:17])=[NH:25])[CH2:14][CH2:15]2)=[O:18])[CH2:9][CH2:10]1)=[O:19].[ClH:24]

Participants

9

Reactant 7

HCID 222AmmoniaHCID 223AmmoniumHCID 312ChlorideHCID 702EthanolHCID 923Sodium ionHCID 1194401-Hydroxyethyl radicalHCID 68379019[1-(1-Cyano-cyclopropylcarbamoyl)-cyclopropyl]-carbamic acid tert-butyl ester

Product 2

HCID 313Hydrochloric AcidHCID 68378982[1-(1-Carbamimidoyl-cyclopropyl-carbamoyl)-cyclopropyl]-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-5d67348f70674d6580279b8218a37e6f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…