Chloride → 8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one

Reaction equation

[Al+3:26].[Cl-:25].[Cl-:27].[Cl-:28].[Cl:31][CH2:32][Cl:33].[Na+:30].[OH-:29].[c:1]1([NH:2][C:8](=[O:9])[c:10]2[n:11][cH:12][cH:13][cH:14][c:15]2[CH2:16][CH2:17][c:18]2[cH:19][c:20]([Cl:24])[cH:21][cH:22][cH:23]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[C:8]1(=[O:9])[c:10]2[n:11][cH:12][cH:13][cH:14][c:15]2[CH2:16][CH2:17][c:18]2[cH:19][c:20]([Cl:24])[cH:21][cH:22][c:23]21

Participants

Reactant 6

HCID 312Chloride3×

HCID 923Sodium Ion

HCID 961Hydroxide

HCID 6344Dichloromethane

HCID 104727Aluminum Cation

HCID 9862612n-Phenyl-3-[2-(3chlorophenyl)ethyl]-2-pyridine carboxamide

Product 1

HCID 98162608-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-one

Sources & evidence

ORD record: ord-2082462e87fd4579932b6b6ee50858a3
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…