1,4-Benzenedimethanol → 3-(4-Chlorophenyl)-3-(4-hydroxymethylbenzyloxy)-2-(4-nitrobenzyl)-2,3-dihydroisoindol-1-one

반응식

[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.[c:29]1([CH2:37][OH:38])[cH:30][cH:31][c:32]([CH2:35][OH:36])[cH:33][cH:34]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([O:28][CH2:37][c:29]3[cH:30][cH:31][c:32]([CH2:35][OH:36])[cH:33][cH: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

참가 물질

반응물 2

HCID 115061,4-Benzenedimethanol

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

생성물 1

HCID 513505153-(4-Chlorophenyl)-3-(4-hydroxymethylbenzyloxy)-2-(4-nitrobenzyl)-2,3-dihydroisoindol-1-one

출처 및 근거

ORD 기록: ord-025b3ff85a7f494f8dd4ae6ce98ce16b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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