Sodium Ion → 3-(2-piperidinopropyl)-4-(3-hydroxyphenyl)-1,5,6,7-tetrahydro-2H-azepinone

Reaction equation

[B:26]([Br:27])([Br:28])[Br:29].[CH2:32]([Cl:33])[Cl:34].[N:1]1([CH:7]([CH2:8][C:9]2=[C:15]([c:16]3[cH:17][c:18]([O:22][CH3:23])[cH:19][cH:20][cH:21]3)[CH2:14][CH2:13][CH2:12][NH:11][C:10]2=[O:24])[CH3:25])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:31].[OH-:30]>>[N:1]1([CH:7]([CH2:8][C:9]2=[C:15]([c:16]3[cH:17][c:18]([OH:22])[cH:19][cH:20][cH:21]3)[CH2:14][CH2:13][CH2:12][NH:11][C:10]2=[O:24])[CH3:25])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

Reactant 5

HCID 923Sodium Ion

HCID 961Hydroxide

HCID 6344Dichloromethane

HCID 25134Boron tribromide

HCID 203329443-(2-piperidinopropyl)-4-(3-methoxyphenyl)-1,5,6,7-tetrahydro-2H-azepinone

Product 1

HCID 203329453-(2-piperidinopropyl)-4-(3-hydroxyphenyl)-1,5,6,7-tetrahydro-2H-azepinone

Sources & evidence

ORD record: ord-8dcd187ecadf4cdd8751e85a5e1a4dbc
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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