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Sodium Ion → Ethyl 3-(2-fluoropyridin-4-yl)-3-oxo-2-((3-(1,1,2,2-tetrafluoroethoxy)phenyl)methyl)propionate

HRID 198239
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HRID 198239 반응식
[CH3:34][O:35][CH2:36][CH2:37][O:38][CH3:39].[F:18][C:19]([CH:20]([F:21])[F:22])([O:23][c:24]1[cH:25][c:26]([CH2:30][Br:31])[cH:27][cH:28][cH:29]1)[F:32].[F:1][c:2]1[n:3][cH:4][cH:5][c:6]([C:8]([CH2:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])=[O:15])[cH:7]1.[H-:16].[Na+:17].[OH2:33]>>[F:1][c:2]1[n:3][cH:4][cH:5][c:6]([C:8]([CH:9]([C:10](=[O:11])[O:12][CH2:13][CH3:14])[CH2:30][c:26]2[cH:25][c:24]([O:23][C:19]([F:18])([CH:20]([F:21])[F:22])[F:32])[cH:29][cH:28][cH:27]2)=[O:15])[cH:7]1
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반응물 6

HCID 923Sodium IonHCID 962WaterHCID 80711,2-DimethoxyethaneHCID 166653HydrideHCID 114603781-(Bromomethyl)-3-(1,1,2,2-tetrafluoroethoxy)benzeneHCID 22261472Ethyl 3-(2-fluoro-4-pyridyl)-3-oxopropionate

생성물 1

HCID 22261762Ethyl 3-(2-fluoropyridin-4-yl)-3-oxo-2-((3-(1,1,2,2-tetrafluoroethoxy)phenyl)methyl)propionate

출처 및 근거

ORD 기록
ord-f24e722d3aa74c9799ce862cfc127929
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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