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

HRID 2129419Notes

Reaction equation

HRID 2129419 reaction equation
[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH2:11][CH2:12][NH:13][C:14](=[O:15])[c:16]2[cH:17][cH:18][cH:19][cH:20][c:21]2[C:22]([OH:23])=[O:24])[CH:6]([c:25]2[cH:26][c:27]([N+:31](=[O:32])[O-:33])[cH:28][cH:29][cH:30]2)[C:5]([C:34](=[O:35])[OH:36])=[C:4]([CH3:37])[NH:3]1.[CH3:38][O-:39].[Na+:40].[OH2:41]>>[CH3:1][C:2]1=[C:7]([C:8](=[O:9])[O:10][CH3:11])[CH:6]([c:25]2[cH:26][c:27]([N+:31](=[O:32])[O-:33])[cH:28][cH:29][cH:30]2)[C:5]([C:34](=[O:35])[OH:36])=[C:4]([CH3:37])[NH:3]1

Participants

5

Reactant 4

HCID 923Sodium ionHCID 962WaterHCID 3826051MethoxideHCID 187112895-[2-[(2-Carboxybenzoyl)amino]ethoxycarbonyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Product 1

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

Sources & evidence

ORD record
ord-a1eca8e0e3b44f3abcf56ff76a8c6730
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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