Ammonia → Ammonium

HRID 677099Notes

Reaction equation

HRID 677099 reaction equation
[CH3:1][O:2][CH:3]([CH3:4])[NH:5][C:6]([CH2:7][CH:8]([CH2:9][CH:10]([CH2:11][CH2:12][CH:13]1[CH:14]([CH3:32])[CH:15]=[CH:16][C:17]2=[CH:18][CH:19]([CH3:31])[CH2:20][CH:21]([O:23][C:24]([C:25]([CH2:26][CH3:27])([CH3:28])[CH3:29])=[O:30])[CH:22]12)[OH:33])[OH:34])=[O:35].[CH3:39][OH:40].[NH3:38].[Na+:37].[OH-:36].[OH2:41]>>[C:6]1(=[O:35])[CH2:7][CH:8]([OH:34])[CH2:9][CH:10]([CH2:11][CH2:12][CH:13]2[CH:14]([CH3:32])[CH:15]=[CH:16][C:17]3=[CH:18][CH:19]([CH3:31])[CH2:20][CH:21]([O:23][C:24]([C:25]([CH2:26][CH3:27])([CH3:28])[CH3:29])=[O:30])[CH:22]23)[O:33]1.[NH4+:5]

Participants

8

Reactant 6

HCID 222AmmoniaHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 178445429HCID 178445429, compound

Product 2

HCID 223AmmoniumHCID 46777988-(2-(4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl 2,2-dimethylbutanoate

Sources & evidence

ORD record
ord-ceb45e716dd845f3a841be3a27168a02
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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