Dichloromethane → 4-(4-(2,6-Difluorobenzyloxy)phenyl)-4-oxobutyric acid

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 21964483tert-Butyl 4-(4-(2,6-difluorobenzyloxy)phenyl)-4-oxobutyrate

생성물 1

HCID 121322974-(4-(2,6-Difluorobenzyloxy)phenyl)-4-oxobutyric acid

출처 및 근거

ORD 기록: ord-f3c7c08a06184acf8657d68ac7d60ba9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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