Toluene → 2-(4-Chloro-2-hydroxyphenoxy)-1-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]ethanone

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 32553187-Chloro-benzo[1,4]dioxin-2-one

HCID 107035841-(4-Fluorobenzyl)-3-methylpiperazine

생성물 1

HCID 219732922-(4-Chloro-2-hydroxyphenoxy)-1-[4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]ethanone

출처 및 근거

ORD 기록: ord-942e6061975d43f5aa94eb1627d7317a
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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