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Acetic Acid → 2-Mercaptomethyl-3,5-dicarboetoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine

HRID 111845
Notes
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Reaction equation

HRID 111845 reaction equation
[C:47]([OH:48])(=[O:49])[CH3:50].[CH2:30]([N+:31]([CH2:32][CH2:33][CH2:34][CH3:35])([CH2:36][CH2:37][CH2:38][CH3:39])[CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH3:46].[CH2:51]([Cl:52])[Cl:53].[Cl: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.[SH2:29]>>[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)[SH:29]
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 402Hydrogen SulfideHCID 6344DichloromethaneHCID 16028TetrabutylammoniumHCID 3064723Diethyl 2-(chloromethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Product 1

HCID 11675833
2-Mercaptomethyl-3,5-dicarboetoxy-4-(m-nitrophenyl)-6-methyl-1,4-dihydropyridine

Sources & evidence

ORD record
ord-72e79ca8e8aa4aa1910e84fe0267e335
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes