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Sodium Ion → 1-(5-Methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-3-(4-chlorophenyl)-propan-1-one

HRID 186298
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HRID 186298 반응식
[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.[CH3:28][N:29]([CH3:30])[CH:31]=[O:32].[Cl:18][c:19]1[cH:20][cH:21][c:22]([CH2:23][Cl:24])[cH:25][cH:26]1.[H-:16].[Na+:17].[OH2:27]>>[CH3:1][C:2]1([C:8]([CH:9]([n:10]2[n:11][cH:12][n:13][cH:14]2)[CH2:23][c:22]2[cH:21][cH:20][c:19]([Cl:18])[cH:26][cH:25]2)=[O:15])[CH2:3][O:4][CH2:5][O:6][CH2:7]1
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참가 물질

7

반응물 6

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 77231-Chloro-4-(chloromethyl)benzeneHCID 166653HydrideHCID 128556521-(5-Methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-ethan-1-one

생성물 1

HCID 128556531-(5-Methyl-1,3-dioxan-5-yl)-2-(1,2,4-triazol-1-yl)-3-(4-chlorophenyl)-propan-1-one

출처 및 근거

ORD 기록
ord-55313040170744b697ce3715c59b5b1a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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