Ethyl Acetate → Tert-butyl 3-(1-oxidopyridin-1-ium-2-yl)prop-2-enoate

반응식

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

참가 물질

반응물 3

HCID 8857Ethyl Acetate

HCID 70297m-Chloroperbenzoic acid

HCID 66628272Tert-butyl 3-(2-pyridyl)prop-2-enoate

생성물 1

HCID 72374399Tert-butyl 3-(1-oxidopyridin-1-ium-2-yl)prop-2-enoate

출처 및 근거

ORD 기록: ord-9869b97cd3e54d6198725f59ab4557b6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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