1,4-Dioxane → 6-(4-Hydroxy-2-methyl-phenyl)-benzo[d]isoxazole-3-carboxylic acid ethyl ester

반응식

[CH2:18]([CH3:19])[O:20][C:21](=[O:22])[c:23]1[n:24][o:25][c:26]2[c:27]1[cH:28][cH:29][c:30]([Br:32])[cH:31]2.[CH2:33]1[O:34][CH2:35][CH2:36][O:37][CH2:38]1.[CH3:1][c:2]1[cH:3][c:4]([OH:17])[cH:5][cH:6][c:7]1[B:8]1[O:9][C:10]([CH3:11])([CH3:12])[C:13]([CH3:14])([CH3:15])[O:16]1>>[CH3:1][c:2]1[cH:3][c:4]([OH:17])[cH:5][cH:6][c:7]1-[c:30]1[cH:29][cH:28][c:27]2[c:23]([C:21]([O:20][CH2:18][CH3:19])=[O:22])[n:24][o:25][c:26]2[cH:31]1

참가 물질

반응물 3

HCID 312751,4-Dioxane

HCID 53401270Ethyl 6-bromobenzo[d]isoxazole-3-carboxylate

HCID 574432723-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

생성물 1

HCID 1363439726-(4-Hydroxy-2-methyl-phenyl)-benzo[d]isoxazole-3-carboxylic acid ethyl ester

출처 및 근거

ORD 기록: ord-9479e09d953444a78f8be143f7b604cd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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