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

HRID 142212

Reaction equation

HRID 142212 reaction equation
[B-:24]([F:25])([F:26])([F:27])[F:28].[CH2:43]([c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[S:50][CH2:51][C:52](=[O:53])[O:54][CH2:55][CH3:56].[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].[CH3:57][CH2:58][OH:59]>>[CH3:29][N:30]([C:31](=[CH:32][CH:33]=[C:51]([S:50][CH2:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[C:52](=[O:53])[O:54][CH2:55][CH3:56])[C:37](=[O:38])[O:39][CH2:40][CH3:41])[CH3:42]

Participants

6

Reactant 5

HCID 702EthanolHCID 26255TetrafluoroborateHCID 3344750Ethyl 2-(Benzylsulfanyl)acetateHCID 86743576[3-(Dimethylamino)-4-ethoxy-4-oxobut-2-enylidene]-dimethylazaniumHCID 86743580Diethyl 2-dimethylamino-5-phenylthio-2,4-hexadienedioate

Product 1

HCID 54057031Diethyl 5-benzylthio-2-dimethylamino-2,4-hexadienedioate

Sources & evidence

ORD record
ord-6f373f69d234466db9d1eebbc51f9aec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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