Ethanol → 2-[(2-Cyanoethyl)thio]methyl-3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine

HRID 299875

Reaction equation

HRID 299875 reaction equation
[CH2:29]=[CH:30][C:31]#[N:32].[CH3:33][N:34]([CH3:35])[C:36]([N:37]([CH3:38])[CH3:39])=[NH:40].[CH3:41][CH2:42][OH:43].[SH:1][CH2:2][C:3]1=[C:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[CH:7]([c:14]2[cH:15][c:16]([N+:20](=[O:21])[O-:22])[cH:17][cH:18][cH:19]2)[C:6]([C:23](=[O:24])[O:25][CH2:26][CH3:27])=[C:5]([CH3:28])[NH:4]1>>[S:1]([CH2:2][C:3]1=[C:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[CH:7]([c:14]2[cH:15][c:16]([N+:20](=[O:21])[O-:22])[cH:17][cH:18][cH:19]2)[C:6]([C:23](=[O:24])[O:25][CH2:26][CH3:27])=[C:5]([CH3:28])[NH:4]1)[CH2:29][CH2:30][C:31]#[N:32]

Participants

5

Reactant 4

HCID 702EthanolHCID 7855AcrylonitrileHCID 664601,1,3,3-TetramethylguanidineHCID 116758332-Mercaptomethyl-3,5-dicarboetoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine

Product 1

HCID 198312032-[(2-Cyanoethyl)thio]methyl-3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine

Sources & evidence

ORD record
ord-0445239bf11c4253a620bd5fdf481c2f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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