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

HRID 1119486Notes

Reaction equation

HRID 1119486 reaction equation
[B-:24]([F:25])([F:26])([F:27])[F:28].[CH2:43]([CH:44]=[CH2:45])[S:46][CH2:47][C:48](=[O:49])[O:50][CH2:51][CH3:52].[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].[CH3:53][CH2:54][OH:55]>>[CH3:29][N:30]([C:31](=[CH:32][CH:33]=[C:47]([S:46][CH2:43][CH:44]=[CH2:45])[C:48](=[O:49])[O:50][CH2:51][CH3:52])[C:37](=[O:38])[O:39][CH2:40][CH3:41])[CH3:42]

Participants

6

Reactant 5

HCID 702EthanolHCID 26255TetrafluoroborateHCID 12717294Ethyl [(prop-2-en-1-yl)sulfanyl]acetateHCID 86743576[3-(Dimethylamino)-4-ethoxy-4-oxobut-2-enylidene]-dimethylazaniumHCID 86743580Diethyl 2-dimethylamino-5-phenylthio-2,4-hexadienedioate

Product 1

HCID 54345555Diethyl 5-allylthio-2-dimethylamino-2,4-hexadienedioate

Sources & evidence

ORD record
ord-5587fda366d4422482e356f0dc4c03f3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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