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Ethanol → Diethyl 2-dimethylamino-5-phenyl-2,4-hexadienedioate

HRID 2315655
노트
인쇄 미리보기

반응식

HRID 2315655 반응식
[B-:24]([F:25])([F:26])([F:27])[F:28].[CH3:1][N:2]([C:3]([C:4](=[S:5])[O:6][CH2:7][CH3:8])=[CH:9][CH:10]=[C:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[CH3:23].[CH3:29][N:30]([CH3:31])[C:32]([C:33]([O:34][CH2:35][CH3:36])=[O:38])=[CH:37][CH:39]=[N+:40]([CH3:41])[CH3:42].[CH3:55][CH2:56][OH:57].[c:43]1([CH2:44][C:45]([O:46][CH2:47][CH3:48])=[O:49])[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[CH3:1][N:2]([C:3]([C:4]([O:6][CH2:7][CH3:8])=[O:38])=[CH:9][CH:10]=[C:11]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[CH3:23]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 702EthanolHCID 7590Ethyl phenylacetateHCID 26255TetrafluoroborateHCID 86743576[3-(Dimethylamino)-4-ethoxy-4-oxobut-2-enylidene]-dimethylazaniumHCID 86743580Diethyl 2-dimethylamino-5-phenylthio-2,4-hexadienedioate

생성물 1

HCID 53828842Diethyl 2-dimethylamino-5-phenyl-2,4-hexadienedioate

출처 및 근거

ORD 기록
ord-68a3cf6bcc2941f79ea6538f897ddde6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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