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

HRID 125064
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HRID 125064 반응식
[B-:24]([F:25])([F:26])([F:27])[F:28].[CH3:1][N:2]([CH3:3])[C:4](=[CH:5][CH:6]=[C:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[C:14]([O:15][CH2:16][CH3:17])=[O:18])[C:19]([O:20][CH2:21][CH3:22])=[S:23].[CH3:29][N:30]([C:31](=[CH:32][CH:33]=[N+:34]([CH3:35])[CH3:36])[C:37](=[O:38])[O:39][CH2:40][CH3:41])[CH3:42].[CH3:43][c:44]1[c:45]([CH2:46][S:47][CH2:48][C:49](=[O:50])[O:51][CH2:52][CH3:53])[cH:54][cH:55][cH:56][cH:57]1.[CH3:58][CH2:59][OH:60]>>[CH3:29][N:30]([C:31](=[CH:32][CH:33]=[C:48]([S:47][CH2:46][c:45]1[c:44]([CH3:43])[cH:57][cH:56][cH:55][cH:54]1)[C:49](=[O:50])[O:51][CH2:52][CH3:53])[C:37](=[O:38])[O:39][CH2:40][CH3:41])[CH3:42]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 702EthanolHCID 26255TetrafluoroborateHCID 13245059Ethyl (2-methylbenzylthio)acetateHCID 86743576[3-(Dimethylamino)-4-ethoxy-4-oxobut-2-enylidene]-dimethylazaniumHCID 86743580Diethyl 2-dimethylamino-5-phenylthio-2,4-hexadienedioate

생성물 1

HCID 53720386
Diethyl 2-dimethylamino-5-(2-methylbenzylthio)-2,4-hexadienedioate

출처 및 근거

ORD 기록
ord-fe5538da8a9e4a3584f3b91a5a5f5575
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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