1,4-Cyclohexanedimethanol → 3-(4-Chlorophenyl)-3-(4-hydroxymethylcyclohexylmethoxy)-2-(4-nitrobenzyl)-2,3-dihydroisoindol-1-one

HRID 161204

Reaction equation

HRID 161204 reaction equation
[CH:29]1([CH2:37][OH:38])[CH2:30][CH2:31][CH:32]([CH2:35][OH:36])[CH2:33][CH2:34]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([OH:28])[N:9]([CH2:18][c:19]3[cH:20][cH:21][c:22]([N+:25](=[O:26])[O-:27])[cH:23][cH:24]3)[C:10](=[O:17])[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]32)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([O:28][CH2:37][CH:29]3[CH2:30][CH2:31][CH:32]([CH2:35][OH:36])[CH2:33][CH2:34]3)[N:9]([CH2:18][c:19]3[cH:20][cH:21][c:22]([N+:25](=[O:26])[O-:27])[cH:23][cH:24]3)[C:10](=[O:17])[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]32)[cH:6][cH:7]1

Participants

3

Reactant 2

HCID 77351,4-CyclohexanedimethanolHCID 513497043-(4-Chlorophenyl)-3-hydroxy-2-(4-nitrobenzyl)isoindolin-1-one

Product 1

HCID 513505163-(4-Chlorophenyl)-3-(4-hydroxymethylcyclohexylmethoxy)-2-(4-nitrobenzyl)-2,3-dihydroisoindol-1-one

Sources & evidence

ORD record
ord-69d94bd889c34703bc56e7e9415a2630
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

Loading…