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Ethanol → Diethyl 2-dimethylamino-5-(3-benzoylphenyl)-2,4-hexadienedioate

HRID 698620
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인쇄 미리보기

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HRID 698620 반응식
[B-:23]([F:24])([F:25])([F:26])[F:27].[C:42]([c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)(=[O:49])[c:50]1[cH:51][c:52]([CH2:56][C:57](=[O:58])[O:59][CH2:60][CH3:61])[cH:53][cH:54][cH:55]1.[CH3:28][N:29]([C:30](=[CH:31][CH:32]=[N+:33]([CH3:34])[CH3:35])[C:36](=[O:37])[O:38][CH2:39][CH3:40])[CH3:41].[CH3:62][CH2:63][OH:64].[c:1]1([C:2](=[O:3])[C:4]([S:5][CH3:6])=[CH:7][CH:8]=[C:9]([N:10]([CH3:11])[CH3:12])[C:13]([O:14][CH2:15][CH3:16])=[O:17])[cH:18][cH:19][cH:20][cH:21][cH:22]1>>[CH3:28][N:29]([C:30](=[CH:31][CH:32]=[C:56]([c:52]1[cH:51][c:50]([C:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)=[O:49])[cH:55][cH:54][cH:53]1)[C:57](=[O:58])[O:59][CH2:60][CH3:61])[C:36](=[O:37])[O:38][CH2:39][CH3:40])[CH3:41]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 702EthanolHCID 26255TetrafluoroborateHCID 44325574Ethyl 6-phenyl-6-oxo-5-methylthio-2-dimethylamino2,4-hexadienoateHCID 53948061Ethyl (3-benzoylphenyl)acetateHCID 86743576[3-(Dimethylamino)-4-ethoxy-4-oxobut-2-enylidene]-dimethylazanium

생성물 1

HCID 53826129
Diethyl 2-dimethylamino-5-(3-benzoylphenyl)-2,4-hexadienedioate

출처 및 근거

ORD 기록
ord-a3e2ab6c6bda4f648aadee371291f11a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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