Calcium Cation → [2-(4-Ethyl-4-methyl-1-piperidinyl)-5-nitrophenyl]-(4-chlorophenyl)methanone

HRID 2339972Notes

Reaction equation

HRID 2339972 reaction equation
[C:34]([N:35]([CH3:36])[CH3:37])(=[O:38])[CH3:39].[CH2:20]([CH3:21])[C:22]1([CH3:28])[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]1.[Ca+2:29].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[c:6]2[cH:7][cH:8][c:9]([Cl:12])[cH:10][cH:11]2)[cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]1.[O-:30][C:31](=[O:32])[O-:33]>>[c:2]1([N:25]2[CH2:24][CH2:23][C:22]([CH2:20][CH3:21])([CH3:28])[CH2:27][CH2:26]2)[c:3]([C:4](=[O:5])[c:6]2[cH:7][cH:8][c:9]([Cl:12])[cH:10][cH:11]2)[cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]1

Participants

6

Reactant 5

HCID 271Calcium CationHCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 875720(2-Chloro-5-nitro-phenyl)-(4-chloro-phenyl)-methanoneHCID 177508824-Ethyl-4-methylpiperidine

Product 1

HCID 20193532[2-(4-Ethyl-4-methyl-1-piperidinyl)-5-nitrophenyl]-(4-chlorophenyl)methanone

Sources & evidence

ORD record
ord-dcdbd721b5b74f12856a9c417ada675b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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