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Dimethylformamide → 2-Hydroxy-1-(4-(2-isopropyl-phenylsulfanyl)-3-trifluoromethyl-phenyl)-ethanone

HRID 163220
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HRID 163220 반응식
[C:26](=[O:27])([O-:28])[O-:29].[CH3:32][CH2:33][O:34][C:35]([CH3:36])=[O:37].[CH:16]([CH3:17])([CH3:18])[c:19]1[c:20]([SH:25])[cH:21][cH:22][cH:23][cH:24]1.[Cs+:30].[Cs+:31].[F:1][c:2]1[c:3]([C:12]([F:13])([F:14])[F:15])[cH:4][c:5]([C:8]([CH2:9][OH:10])=[O:11])[cH:6][cH:7]1.[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[c:2]1([S:25][c:20]2[c:19]([CH:16]([CH3:17])[CH3:18])[cH:24][cH:23][cH:22][cH:21]2)[c:3]([C:12]([F:13])([F:14])[F:15])[cH:4][c:5]([C:8]([CH2:9][OH:10])=[O:11])[cH:6][cH:7]1
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반응물 6

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 96003Benzenethiol, 2-(1-methylethyl)-HCID 104967Cesium cation2회HCID 219067681-(4-Fluoro-3-trifluoromethyl-phenyl)-2-hydroxy-ethanone

생성물 1

HCID 219067562-Hydroxy-1-(4-(2-isopropyl-phenylsulfanyl)-3-trifluoromethyl-phenyl)-ethanone

출처 및 근거

ORD 기록
ord-3984c1f961b742628533d7634e29abde
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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