Ethanol → Diethyl 4-[2-(4-aminobutoxy)-5-nitrophenyl]-2-ethyl-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Reaction equation
[CH2:1]([CH3:2])[C:3]1=[C:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[CH:7]([c:14]2[c:15]([O:23][CH2:24][CH2:25][CH2:26][CH2:27][N:28]3[C:29](=[O:30])[c:31]4[cH:32][cH:33][cH:34][cH:35][c:36]4[C:37]3=[O:38])[cH:16][cH:17][c:18]([N+:20](=[O:21])[O-:22])[cH:19]2)[C:6]([C:39](=[O:40])[O:41][CH2:42][CH3:43])=[C:5]([CH3:44])[NH:4]1.[CH3:48][CH2:49][OH:50].[NH2:46][NH2:47].[OH2:45]>>[CH2:1]([CH3:2])[C:3]1=[C:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[CH:7]([c:14]2[c:15]([O:23][CH2:24][CH2:25][CH2:26][CH2:27][NH2:28])[cH:16][cH:17][c:18]([N+:20](=[O:21])[O-:22])[cH:19]2)[C:6]([C:39](=[O:40])[O:41][CH2:42][CH3:43])=[C:5]([CH3:44])[NH:4]1Participants
5
Sources & evidence
- ORD record
- ord-69b1865c6ae64e83bb67ad9a89bdb91f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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