Acetic Acid → Hydrochloric Acid

HRID 2323728Notes

Reaction equation

HRID 2323728 reaction equation
[CH3:31][C:32](=[O:33])[OH:34].[ClH:1].[OH:29][OH:30].[n:2]1[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][CH2:17][N:18]3[C:19](=[O:28])[CH:20]4[CH2:21][CH2:22][CH2:23][CH:24]([C:25]3=[O:26])[S:27]4)[CH2:12][CH2:13]2)[n:4][cH:5][cH:6][cH:7]1>>[ClH:1].[n:2]1[c:3]([N:8]2[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][CH2:17][N:18]3[C:19](=[O:28])[CH:20]4[CH2:21][CH2:22][CH2:23][CH:24]([C:25]3=[O:26])[S:27]4=[O:29])[CH2:12][CH2:13]2)[n:4][cH:5][cH:6][cH:7]1

Participants

6

Reactant 4

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 784Hydrogen PeroxideHCID 141563613-[4-[4-(2-Pyrimidinyl)-1-piperazinyl]butyl]-9-thia-3-azabicyclo[3.3.1]nonane-2,4-dione

Product 2

HCID 313Hydrochloric AcidHCID 141563899-Oxo-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-9lambda4-thia-3-azabicyclo[3.3.1]nonane-2,4-dione

Sources & evidence

ORD record
ord-ddc449d32ae04943a80123d16c8b2a6c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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