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Potassium Cation → 3-[2-[4-[(4-Fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]-6-methylpyridine-2-carbaldehyde

HRID 198861
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반응식

HRID 198861 반응식
[C:31](=[O:32])([O-:33])[O-:34].[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[Cl:11][CH2:12][C:13](=[O:14])[N:15]1[CH:16]([CH3:30])[CH2:17][N:18]([CH2:22][c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[CH:19]([CH3:21])[CH2:20]1.[I-:38].[K+:35].[K+:36].[K+:37].[OH:1][c:2]1[c:3]([CH:9]=[O:10])[n:4][c:5]([CH3:8])[cH:6][cH:7]1>>[O:1]([c:2]1[c:3]([CH:9]=[O:10])[n:4][c:5]([CH3:8])[cH:6][cH:7]1)[CH2:12][C:13](=[O:14])[N:15]1[CH:16]([CH3:30])[CH2:17][N:18]([CH2:22][c:23]2[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]2)[CH:19]([CH3:21])[CH2:20]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium Cation3회HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 30165Iodide IonHCID 124219863-Hydroxy-6-methylpyridine-2-carbaldehydeHCID 219732762-Chloro-1-[4-(4-fluoro-benzyl)-2,5-dimethyl-piperazin-1-yl]-ethanone

생성물 1

HCID 219734763-[2-[4-[(4-Fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]-6-methylpyridine-2-carbaldehyde

출처 및 근거

ORD 기록
ord-1e5b3f17b748456da7f6c9a85a5fd82f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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