Acetate → Hydrochloric Acid

HRID 672452

Reaction equation

HRID 672452 reaction equation
[BH4-:19].[CH2:14]([CH2:15][CH2:16][CH3:17])[NH2:18].[CH3:1][c:2]1[c:3]2[c:7]([c:8]([OH:12])[c:9]([CH3:11])[cH:10]1)[C:6](=[O:13])[CH2:5][CH2:4]2.[CH3:23][C:24](=[O:25])[O-:26].[CH3:28][CH2:29][OH:30].[ClH:21].[Na+:20].[Na+:22].[OH2:27]>>[CH3:1][c:2]1[c:3]2[c:7]([c:8]([OH:12])[c:9]([CH3:11])[cH:10]1)[CH:6]([NH:18][CH2:14][CH2:15][CH2:16][CH3:17])[CH2:5][CH2:4]2.[ClH:21]

Participants

10

Reactant 8

HCID 175AcetateHCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ion2×HCID 962WaterHCID 8007ButylamineHCID 28123BorohydrideHCID 2407184,6-Dimethyl-7-hydroxy-1-indanone

Product 2

HCID 313Hydrochloric AcidHCID 136042023-(butylamino)-5,7-dimethyl-2,3-dihydro-1H-inden-4-ol

Sources & evidence

ORD record
ord-307da720f0f8443a94180cbaaacad6ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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