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

HRID 1211089

Reaction equation

HRID 1211089 reaction equation
[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].[CH3:60][CH2:61][OH:62].[CH:43]([CH3:44])([CH3:45])[c:46]1[cH:47][cH:48][c:49]([CH2:50][S:51][CH2:52][C:53](=[O:54])[O:55][CH2:56][CH3:57])[cH:58][cH:59]1>>[CH3:29][N:30]([C:31](=[CH:32][CH:33]=[C:52]([S:51][CH2:50][c:49]1[cH:48][cH:47][c:46]([CH:43]([CH3:44])[CH3:45])[cH:59][cH:58]1)[C:53](=[O:54])[O:55][CH2:56][CH3:57])[C:37](=[O:38])[O:39][CH2:40][CH3:41])[CH3:42]

Participants

6

Reactant 5

HCID 702EthanolHCID 26255TetrafluoroborateHCID 54329641Ethyl (4-isopropylbenzylthio)acetateHCID 86743576[3-(Dimethylamino)-4-ethoxy-4-oxobut-2-enylidene]-dimethylazaniumHCID 86743580Diethyl 2-dimethylamino-5-phenylthio-2,4-hexadienedioate

Product 1

HCID 54123342Diethyl 2-dimethylamino-5-(4-isopropylbenzylthio)-2,4-hexadienedioate

Sources & evidence

ORD record
ord-06870b8f2e5046a58ff95219610f04eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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