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Sodium Ion → 1-(5-Methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-6(2-fluorophenoxy)-hexan-1-one

HRID 2349586
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인쇄 미리보기

반응식

HRID 2349586 반응식
[Br:18][CH2:19][CH2:20][CH2:21][CH2:22][O:23][c:24]1[c:25]([F:30])[cH:26][cH:27][cH:28][cH:29]1.[CH3:1][C:2]1([C:8]([CH2:9][n:10]2[n:11][cH:12][n:13][cH:14]2)=[O:15])[CH2:3][O:4][CH2:5][O:6][CH2:7]1.[CH3:32][N:33]([CH3:34])[CH:35]=[O:36].[H-:16].[Na+:17].[OH2:31]>>[CH3:1][C:2]1([C:8]([CH:9]([n:10]2[n:11][cH:12][n:13][cH:14]2)[CH2:19][CH2:20][CH2:21][CH2:22][O:23][c:24]2[c:25]([F:30])[cH:26][cH:27][cH:28][cH:29]2)=[O:15])[CH2:3][O:4][CH2:5][O:6][CH2:7]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 166653HydrideHCID 71722941-(4-Bromobutoxy)-2-fluorobenzeneHCID 128556521-(5-Methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-ethan-1-one

생성물 1

HCID 137154561-(5-Methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-6(2-fluorophenoxy)-hexan-1-one

출처 및 근거

ORD 기록
ord-b958a9f94544440283d064f9cb098233
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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