Phenol, 4-methoxy-2-nitro- → 3-Methyl-5-[7-(2-nitro-4-methoxyphenoxy)heptyl]isoxazole

반응식

[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][c:9]1[cH:10][c:11]([CH3:14])[n:12][o:13]1.[N+:16](=[O:17])([O-:18])[c:19]1[c:20]([OH:27])[cH:21][cH:22][c:23]([O:25][CH3:26])[cH:24]1.[Na:15]>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][c:9]1[cH:10][c:11]([CH3:14])[n:12][o:13]1)[O:27][c:20]1[c:19]([N+:16](=[O:17])[O-:18])[cH:24][c:23]([O:25][CH3:26])[cH:22][cH:21]1

참가 물질

반응물 3

HCID 15285Phenol, 4-methoxy-2-nitro-

HCID 5360545Sodium

HCID 133169675-(7-Bromoheptyl)-3-methylisoxazole

생성물 1

HCID 52712053-Methyl-5-[7-(2-nitro-4-methoxyphenoxy)heptyl]isoxazole

출처 및 근거

ORD 기록: ord-b5e0f4b487594847be8787bb16fd44f6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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