Ethyl Acetate → [5-(4-Amino-2,6-dimethylphenoxy)-2-hydroxyphenyl](4-fluorophenyl)methanone

반응식

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

참가 물질

반응물 2

HCID 8857Ethyl Acetate

HCID 9999865(4-Fluorophenyl)[2-hydroxy-5-(2,6-dimethyl-4-nitrophenoxy)phenyl]methanone

생성물 1

HCID 10020835[5-(4-Amino-2,6-dimethylphenoxy)-2-hydroxyphenyl](4-fluorophenyl)methanone

출처 및 근거

ORD 기록: ord-43b87d7e339e4793818ebeecd3f993f3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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