3-Chlorobenzoic Acid → 3-(3-Chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-OL 1-oxide

반응식

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

참가 물질

반응물 3

HCID 4473-Chlorobenzoic Acid

HCID 6344Dichloromethane

HCID 251457773-(3-Chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-ol

생성물 1

HCID 866434273-(3-Chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-OL 1-oxide

출처 및 근거

ORD 기록: ord-a28f0e0303aa4ee586d69c42823dfb0c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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