Bicarbonate Ion → 2-(Phenylsulfinyl)methyl-3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine

HRID 197880

Reaction equation

HRID 197880 reaction equation
[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[Na+:39].[O-:35][C:36]([OH:37])=[O:38].[c:1]1([S:7][CH2:8][C:9]2=[C:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH:13]([c:20]3[cH:21][c:22]([N+:26](=[O:27])[O-:28])[cH:23][cH:24][cH:25]3)[C:12]([C:29](=[O:30])[O:31][CH2:32][CH3:33])=[C:11]([CH3:34])[NH:10]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7]([CH2:8][C:9]2=[C:14]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH:13]([c:20]3[cH:21][c:22]([N+:26](=[O:27])[O-:28])[cH:23][cH:24][cH:25]3)[C:12]([C:29](=[O:30])[O:31][CH2:32][CH3:33])=[C:11]([CH3:34])[NH:10]2)=[O:35])[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

5

Reactant 4

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8857Ethyl AcetateHCID 198311872-(Phenylthio)methyl-3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine

Product 1

HCID 198312022-(Phenylsulfinyl)methyl-3,5-dicarboethoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine

Sources & evidence

ORD record
ord-d0a9d9b2bbe5446a91eaa6bd573de413
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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