Ammonium → 3-(1,1-DIMETHYL-1-ETHYL)-8-CHLORO-5,6-DIHYDRO-11H-BENZO[5,6]CYCLOHEPTA[1,2-b]PYRIDIN-11-ONE

Reaction equation

[C:19]([CH3:20])([CH3:21])([CH3:22])[Mg+:23].[CH2:26]1[O:27][CH2:28][CH2:29][CH2:30]1.[Cl-:18].[Cl-:24].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[CH2:7][CH2:8][c:9]1[c:10]([n:11][cH:12][cH:13][cH:14]1)[C:15]2=[O:16].[NH4+:25]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[CH2:7][CH2:8][c:9]1[c:10]([n:11][cH:12][c:13]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:14]1)[C:15]2=[O:16]

Participants

Reactant 5

HCID 223Ammonium

HCID 312Chloride2×

HCID 8028Tetrahydrofuran

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

HCID 178448412HCID 178448412, compound

Product 1

HCID 187153643-(1,1-DIMETHYL-1-ETHYL)-8-CHLORO-5,6-DIHYDRO-11H-BENZO[5,6]CYCLOHEPTA[1,2-b]PYRIDIN-11-ONE

Sources & evidence

ORD record: ord-8ee00fb1a63240f5afe0324ba31dad77
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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