Hydrochloric Acid → N-(1-azabicyclo[2.2.2]octan-3-yl)-4-butylbenzamide

HRID 202885

Reaction equation

HRID 202885 reaction equation
[CH2:19]([CH2:20][CH2:21][CH3:22])[c:23]1[cH:24][cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:30][cH:31]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:42][C:43]#[N:44].[Cl:33][c:34]1[cH:35][cH:36][cH:37][cH:38][n+:39]1[CH3:40].[ClH:8].[ClH:9].[I-:32].[NH2:10][CH:11]1[CH2:12][N:13]2[CH2:14][CH2:15][CH:16]1[CH2:17][CH2:18]2.[OH2:41]>>[NH:10]([CH:11]1[CH2:12][N:13]2[CH2:14][CH2:15][CH:16]1[CH2:17][CH2:18]2)[C:27]([c:26]1[cH:25][cH:24][c:23]([CH2:19][CH2:20][CH2:21][CH3:22])[cH:31][cH:30]1)=[O:28]

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6342AcetonitrileHCID 8471TriethylamineHCID 30165Iodide IonHCID 886314-Butylbenzoic acidHCID 1232383-AminoquinuclidineHCID 1670702-Chloro-1-methylpyridinium

Product 1

HCID 67325732N-(1-azabicyclo[2.2.2]octan-3-yl)-4-butylbenzamide

Sources & evidence

ORD record
ord-1ec897fe624140f4883a00d696b8318d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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