Acetone → 2,6-Dimethyl-3-carbomethoxy-4-(3-nitrophenyl)-5-(3-[4-(2-tetrahydropyran-2-yloxyethyl)phenoxy]propoxycarbonyl)-1,4-dihydropyridine

HRID 1565654Notes

Reaction equation

HRID 1565654 reaction equation
[CH3:17][C:18]1=[C:23]([C:24](=[O:25])[O:26][CH3:27])[CH:22]([c:28]2[cH:29][c:30]([N+:34](=[O:35])[O-:36])[cH:31][cH:32][cH:33]2)[C:21]([C:37](=[O:38])[O:39][CH2:40][CH2:41][CH2:42][Br:43])=[C:20]([CH3:44])[NH:19]1.[CH3:51][C:52](=[O:53])[CH3:54].[K+:45].[K+:46].[O-:47][C:48]([O-:49])=[O:50].[O:1]1[CH:2]([O:7][CH2:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([OH:16])[cH:14][cH:15]2)[CH2:3][CH2:4][CH2:5][CH2:6]1>>[O:1]1[CH:2]([O:7][CH2:8][CH2:9][c:10]2[cH:11][cH:12][c:13]([O:16][CH2:42][CH2:41][CH2:40][O:39][C:37]([C:21]3=[C:20]([CH3:44])[NH:19][C:18]([CH3:17])=[C:23]([C:24](=[O:25])[O:26][CH3:27])[CH:22]3[c:28]3[cH:29][c:30]([N+:34](=[O:35])[O-:36])[cH:31][cH:32][cH:33]3)=[O:38])[cH:14][cH:15]2)[CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 32742783-bromopropyl Methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylateHCID 142087834-(2-Tetrahydropyran-2-yloxyethyl)phenol

Product 1

HCID 142087862,6-Dimethyl-3-carbomethoxy-4-(3-nitrophenyl)-5-(3-[4-(2-tetrahydropyran-2-yloxyethyl)phenoxy]propoxycarbonyl)-1,4-dihydropyridine

Sources & evidence

ORD record
ord-f2069fc48614489ea3e9deb0a2513c2c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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