Dichloromethane → 5-(4-Fluorophenyl)-7-isopropyl-2,2-dimethyl-6-[4-(trifluoromethoxy)benzoyl]-2,3-dihydro-4H-chromen-4-one

반응식

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

참가 물질

반응물 2

HCID 6344Dichloromethane

HCID 58002959Rac-5-(4-fluorophenyl)-6-{hydroxy[4-(trifluoromethoxy)phenyl]methyl}-7-isopropyl-2,2-dimethyl-2,3-dihydro-4h-chromen-4-one

생성물 1

HCID 580030325-(4-Fluorophenyl)-7-isopropyl-2,2-dimethyl-6-[4-(trifluoromethoxy)benzoyl]-2,3-dihydro-4H-chromen-4-one

출처 및 근거

ORD 기록: ord-e7c61412720e426f90bf323b4f21c429
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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