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Acetone → 5,5-Dimethyl-3-(3-fluorophenyl)-2-hydroxy-4-(4-methylsulfonylphenyl)-2,5-dihydrofuran

HRID 299773
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HRID 299773 반응식
[C:39]([CH:40]([CH:41]([C:42]([O-:43])=[O:44])[OH:45])[OH:46])([O-:47])=[O:48].[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:1][C:2]1([CH3:25])[C:3]([c:15]2[cH:16][cH:17][c:18]([S:21](=[O:22])(=[O:23])[CH3:24])[cH:19][cH:20]2)=[C:4]([c:8]2[cH:9][c:10]([F:14])[cH:11][cH:12][cH:13]2)[C:5](=[O:7])[O:6]1.[CH3:26][CH:27]([CH2:28][AlH:29][CH2:30][CH:31]([CH3:32])[CH3:33])[CH3:34].[CH3:35][C:36](=[O:37])[CH3:38].[CH3:56][OH:57].[K+:50].[Na+:49]>>[CH3:1][C:2]1([CH3:25])[C:3]([c:15]2[cH:16][cH:17][c:18]([S:21](=[O:22])(=[O:23])[CH3:24])[cH:19][cH:20]2)=[C:4]([c:8]2[cH:9][c:10]([F:14])[cH:11][cH:12][cH:13]2)[CH:5]([OH:7])[O:6]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 180AcetoneHCID 813Potassium CationHCID 887MethanolHCID 923Sodium IonHCID 8028TetrahydrofuranHCID 14487Diisobutylaluminum hydrideHCID 38061142,3-Dihydroxybutanedioate
HCID 9906892
5,5-dimethyl-3-(3-fluorophenyl)-4-(4-methylsulfonyl)phenyl-2(5H)-furanone

생성물 1

HCID 98637875,5-Dimethyl-3-(3-fluorophenyl)-2-hydroxy-4-(4-methylsulfonylphenyl)-2,5-dihydrofuran

출처 및 근거

ORD 기록
ord-a7d6ef78ef9e45c0bc3f0f30cce112b1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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