Acetic Acid → N-(1-azabicyclo[2.2.2]oct-3 yl)-N'-(3-chlorphenyl)-1,2-diaminoethane

HRID 316121

Reaction equation

HRID 316121 reaction equation
[C:26]([BH3-:27])#[N:28].[CH3:22][C:23](=[O:24])[OH:25].[CH3:30][OH:31].[Cl:1][c:2]1[cH:3][c:4]([NH:8][CH2:9][CH2:10][NH2:11])[cH:5][cH:6][cH:7]1.[ClH:12].[N:13]12[CH2:14][C:15](=[O:21])[CH:16]([CH2:17][CH2:18]1)[CH2:19][CH2:20]2.[Na+:29]>>[Cl:1][c:2]1[cH:3][c:4]([NH:8][CH2:9][CH2:10][NH:11][CH:15]2[CH2:14][N:13]3[CH2:18][CH2:17][CH:16]2[CH2:19][CH2:20]3)[cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 195073-QuinuclidinoneHCID 498716Cyano-borohydrideHCID 11008376N1-(3-chlorophenyl)ethane-1,2-diamine

Product 1

HCID 10492977N-(1-azabicyclo[2.2.2]oct-3 yl)-N'-(3-chlorphenyl)-1,2-diaminoethane

Sources & evidence

ORD record
ord-5e4d3b4cd9d04b158ae501373a093d1f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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