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Acetone → 5-(2-acetyl-phenoxy)-4-chloro-2-(tetrahydro-pyran-2-yl)-2H-pyridazin-3-one

HRID 180503
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인쇄 미리보기

반응식

HRID 180503 반응식
[Br-:38].[C:16](=[O:17])([O-:18])[O-:19].[CH3:34][C:35](=[O:36])[CH3:37].[CH3:39][CH2:40][CH2:41][CH2:42][N+:43]([CH2:44][CH2:45][CH2:46][CH3:47])([CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH2:54][CH3:55].[Cl:1][c:2]1[c:3](=[O:15])[n:4]([CH:9]2[O:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[n:5][cH:6][c:7]1[Cl:8].[I-:23].[K+:20].[K+:21].[K+:22].[OH:24][c:25]1[c:26]([C:31]([CH3:32])=[O:33])[cH:27][cH:28][cH:29][cH:30]1>>[Cl:1][c:2]1[c:3](=[O:15])[n:4]([CH:9]2[O:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[n:5][cH:6][c:7]1[O:24][c:25]1[c:26]([C:31]([CH3:32])=[O:33])[cH:27][cH:28][cH:29][cH:30]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 180AcetoneHCID 259Bromide ionHCID 813Potassium Cation3회HCID 83752'-HydroxyacetophenoneHCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 30165Iodide Ion
HCID 10729262
4,5-Dichloro-2-(tetrahydro-pyran-2-yl)-2H-pyridazin-3-one

생성물 1

HCID 668754605-(2-acetyl-phenoxy)-4-chloro-2-(tetrahydro-pyran-2-yl)-2H-pyridazin-3-one

출처 및 근거

ORD 기록
ord-e0cf85038f6d445696e117dfaf7b5967
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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