Water → 5-[2-[(2-Carboxybenzoyl)amino]ethoxycarbonyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

HRID 200943Notes

Reaction equation

HRID 200943 reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][c:7]1[C:8]([NH:9][CH2:10][CH2:48][O:11][C:12](=[O:13])[C:14]1=[C:15]([CH3:47])[NH:16][C:17]([CH3:46])=[C:18]([C:29](=[O:30])[O:31][CH2:32][CH2:33][NH:34][C:35]([c:36]2[c:37]([C:42](=[O:43])[OH:44])[cH:38][cH:39][cH:40][cH:41]2)=[O:45])[CH:19]1[c:20]1[cH:21][c:22]([N+:26](=[O:27])[O-:28])[cH:23][cH:24][cH:25]1)=[O:49])([OH:50])=[O:51].[OH2:52]>>[O:11]=[C:12]([OH:13])[C:14]1=[C:15]([CH3:47])[NH:16][C:17]([CH3:46])=[C:18]([C:29](=[O:30])[O:31][CH2:32][CH2:33][NH:34][C:35]([c:36]2[c:37]([C:42](=[O:43])[OH:44])[cH:38][cH:39][cH:40][cH:41]2)=[O:45])[CH:19]1[c:20]1[cH:21][c:22]([N+:26](=[O:27])[O-:28])[cH:23][cH:24][cH:25]1

Participants

3

Reactant 2

HCID 962WaterHCID 109305201,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl) pyridine-3,5-dicarboxylic acid bis[2-(2-carboxybenzoyl)aminoethyl] ester

Product 1

HCID 187112895-[2-[(2-Carboxybenzoyl)amino]ethoxycarbonyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid

Sources & evidence

ORD record
ord-b3981be2fe5243e1a90ff4ed7dc153c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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