3,4-Dichlorotoluene-alpha-thiol → 5-(3,4-Dichloro-benzylsulfanylmethyl)-6-hydroxy-3,4-dihydro-2H-naphthalen-1-one

반응식

[Cl:15][c:16]1[cH:17][c:18]([CH2:23][SH:24])[cH:19][cH:20][c:21]1[Cl:22].[Cl:1][CH2:2][c:3]1[c:4]2[c:9]([cH:10][cH:11][c:12]1[OH:13])[C:8](=[O:14])[CH2:7][CH2:6][CH2:5]2>>[CH2:2]([c:3]1[c:4]2[c:9]([cH:10][cH:11][c:12]1[OH:13])[C:8](=[O:14])[CH2:7][CH2:6][CH2:5]2)[S:24][CH2:23][c:18]1[cH:17][c:16]([Cl:15])[c:21]([Cl:22])[cH:20][cH:19]1

참가 물질

반응물 2

HCID 1189863,4-Dichlorotoluene-alpha-thiol

HCID 123936195-(chloromethyl)-6-hydroxy-3,4-dihydro-1(2H)-naphthalenone

생성물 1

HCID 223246835-(3,4-Dichloro-benzylsulfanylmethyl)-6-hydroxy-3,4-dihydro-2H-naphthalen-1-one

출처 및 근거

ORD 기록: ord-93c1ce52510a4e2981da254b14f41fa4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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