Hydrochloric Acid → 1-Azabicyclo[3.3.1]nonane-5-carboxaldehyde oxime

HRID 2324758Notes

Reaction equation

HRID 2324758 reaction equation
[CH2:33]([Cl:34])[Cl:35].[CH3:25][OH:26].[CH3:27][O-:28].[CH3:30][O-:31].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:7][S:8]([CH3:9])=[O:10].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[ClH:22].[N:11]12[CH2:12][CH2:13][CH2:14][C:15]([CH2:20][OH:21])([CH2:16][CH2:17][CH2:18]1)[CH2:19]2.[NH2:23][OH:24].[Na+:29].[Na+:32]>>[N:11]12[CH2:12][CH2:13][CH2:14][C:15]([CH:20]=[N:23][OH:24])([CH2:16][CH2:17][CH2:18]1)[CH2:19]2

Participants

11

Reactant 10

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 787HydroxylamineHCID 887MethanolHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 8471TriethylamineHCID 65578Oxalyl chlorideHCID 3826051Methoxide2×HCID 19795980{1-Azabicyclo[3.3.1]nonan-5-yl}methanol

Product 1

HCID 736541371-Azabicyclo[3.3.1]nonane-5-carboxaldehyde oxime

Sources & evidence

ORD record
ord-38cf5e0a8faf4459b5e93266dcb94d93
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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