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Acetone → 4-[5-(3,5-Dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]-2-fluoro benzoic acid

HRID 699237
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HRID 699237 반응식
[CH3:37][C:38](=[O:39])[CH3:40].[Cl:1][c:2]1[cH:3][c:4]([C:9]2([C:23]([F:24])([F:25])[F:26])[CH2:10][C:11]([c:14]3[cH:15][c:16]([F:22])[c:17]([CH2:20][OH:21])[cH:18][cH:19]3)=[N:12][O:13]2)[cH:5][c:6]([Cl:8])[cH:7]1.[Cr:27](=[O:28])([OH:29])([OH:30])=[O:31].[OH2:41].[S:32](=[O:33])(=[O:34])([OH:35])[OH:36]>>[Cl:1][c:2]1[cH:3][c:4]([C:9]2([C:23]([F:24])([F:25])[F:26])[CH2:10][C:11]([c:14]3[cH:15][c:16]([F:22])[c:17]([C:20](=[O:21])[OH:28])[cH:18][cH:19]3)=[N:12][O:13]2)[cH:5][c:6]([Cl:8])[cH:7]1
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반응물 5

HCID 180AcetoneHCID 962WaterHCID 1118Sulfuric AcidHCID 24425Chromic AcidHCID 231598185-(3,5-Dichlorophenyl)-3-(3-fluoro-4-hydroxymethylphenyl)-5-trifluoromethyl-4,5-dihydroisoxazole

생성물 1

HCID 866114634-[5-(3,5-Dichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazole-3-yl]-2-fluoro benzoic acid

출처 및 근거

ORD 기록
ord-bbe9242dee10420ebe8d8276a82d1e49
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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