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Acetone → 2,3,4,4a-Tetrahydro-3-[5-(2-Pyridinyl)Pentyl]-1H-Pyrazino[1,2-a]Quinoxalin-5(6H)-One

HRID 87645
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인쇄 미리보기

반응식

HRID 87645 반응식
[C:30](=[O:31])([O-:32])[O-:33].[CH2:1]1[CH2:2][NH:3][CH2:4][CH:5]2[N:6]1[c:7]1[cH:8][cH:9][cH:10][cH:11][c:12]1[NH:13][C:14]2=[O:15].[CH3:38][C:39](=[O:40])[CH3:41].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[ClH:16].[ClH:17].[I-:37].[K+:34].[K+:35].[K+:36].[n:18]1[c:19]([CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][Br:29])[cH:20][cH:21][cH:22][cH:23]1>>[CH2:1]1[CH2:2][N:3]([CH2:28][CH2:27][CH2:26][CH2:25][CH2:24][c:19]2[n:18][cH:23][cH:22][cH:21][cH:20]2)[CH2:4][CH:5]2[N:6]1[c:7]1[cH:8][cH:9][cH:10][cH:11][c:12]1[NH:13][C:14]2=[O:15]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 180AcetoneHCID 313Hydrochloric Acid2회HCID 813Potassium Cation3회HCID 8471TriethylamineHCID 19660Carbonate IonHCID 30165Iodide IonHCID 1563622,3,4,4a-Tetrahydro-1H-pyrazino(1,2a)quinoxalin-5-(6H)one
HCID 19885914
2-(5-Bromopentyl)pyridine

생성물 1

HCID 203394162,3,4,4a-Tetrahydro-3-[5-(2-Pyridinyl)Pentyl]-1H-Pyrazino[1,2-a]Quinoxalin-5(6H)-One

출처 및 근거

ORD 기록
ord-f0c2caf1765144669c59643c8f3b6d38
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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