Ethyl Acetate → 5-(4-Amino-2,6-dimethylphenoxy)-2-(2-methoxyethoxymethoxy)benzoic acid 2-methoxyethoxymethyl ester

반응식

[CH3:1][O:2][CH2:3][CH2:4][O:5][CH2:6][O:7][C:8]([c:9]1[c:10]([O:27][CH2:28][O:29][CH2:30][CH2:31][O:32][CH3:33])[cH:11][cH:12][c:13]([O:15][c:16]2[c:17]([CH3:26])[cH:18][c:19]([N+:23]([O-:24])=[O:25])[cH:20][c:21]2[CH3:22])[cH:14]1)=[O:34].[CH3:35][CH2:36][O:37][C:38]([CH3:39])=[O:40]>>[CH3:1][O:2][CH2:3][CH2:4][O:5][CH2:6][O:7][C:8]([c:9]1[c:10]([O:27][CH2:28][O:29][CH2:30][CH2:31][O:32][CH3:33])[cH:11][cH:12][c:13]([O:15][c:16]2[c:17]([CH3:26])[cH:18][c:19]([NH2:23])[cH:20][c:21]2[CH3:22])[cH:14]1)=[O:34]

참가 물질

반응물 2

HCID 8857Ethyl Acetate

HCID 541396135-(2,6-Dimethyl-4-nitrophenoxy)-2-(2-methoxyethoxymethoxy)benzoic acid 2-methoxyethoxymethyl ester

생성물 1

HCID 543684335-(4-Amino-2,6-dimethylphenoxy)-2-(2-methoxyethoxymethoxy)benzoic acid 2-methoxyethoxymethyl ester

출처 및 근거

ORD 기록: ord-01a511f1795845bb86580ef7b55fe1b9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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