Acetone → 2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid monomethyl ester

HRID 1142974Notes

Reaction equation

HRID 1142974 reaction equation
[CH3:1][O:2][CH2:3][CH2:4][O:5][CH2:6][N:7]1[C:8]([CH3:30])=[C:9]([C:26](=[O:27])[O:28][CH3:29])[CH:10]([c:17]2[cH:18][c:19]([N+:23](=[O:24])[O-:25])[cH:20][cH:21][cH:22]2)[C:11]([C:14](=[O:15])[OH:16])=[C:12]1[CH3:13].[CH3:32][C:33](=[O:34])[CH3:35].[ClH:31].[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1>>[NH:7]1[C:8]([CH3:30])=[C:9]([C:26](=[O:27])[O:28][CH3:29])[CH:10]([c:17]2[cH:18][c:19]([N+:23](=[O:24])[O-:25])[cH:20][cH:21][cH:22]2)[C:11]([C:14](=[O:15])[OH:16])=[C:12]1[CH3:13]

Participants

5

Reactant 4

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 14208794(+)-1-(2-Methoxyethoxymethyl)-2,6-dimethyl-3-carbomethoxy-4-(3-nitrophenyl)-5-carboxy-1,4-dihydropyridine

Product 1

HCID 1733222,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid monomethyl ester

Sources & evidence

ORD record
ord-a49d21d829ae4b8996f8fdd8f7dff9cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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