Sodium ion → 5-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-(1-cyclopropyl-2-pentan-3-ylsulfanylethyl)-3-methyl-3-prop-2-enylpiperidin-2-one

HRID 123296

Reaction equation

HRID 123296 reaction equation
[Br:32][CH:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH2:1]([CH:2]=[CH2:3])[C:4]1([CH3:31])[C:5](=[O:30])[N:6]([CH:24]([CH2:25][SH:26])[CH:27]2[CH2:28][CH2:29]2)[CH:7]([c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH:8]([c:10]2[cH:11][c:12]([Cl:16])[cH:13][cH:14][cH:15]2)[CH2:9]1.[H-:38].[Na+:39].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[CH2:1]([CH:2]=[CH2:3])[C:4]1([CH3:31])[C:5](=[O:30])[N:6]([CH:24]([CH2:25][S:26][CH:33]([CH2:34][CH3:35])[CH2:36][CH3:37])[CH:27]2[CH2:28][CH2:29]2)[CH:7]([c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH:8]([c:10]2[cH:11][c:12]([Cl:16])[cH:13][cH:14][cH:15]2)[CH2:9]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 157383-BromopentaneHCID 166653HydrideHCID 768343935-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-(1-cyclopropyl-2-sulfanylethyl)-3-methyl-3-prop-2-enylpiperidin-2-one

Product 1

HCID 768345695-(3-Chlorophenyl)-6-(4-chlorophenyl)-1-(1-cyclopropyl-2-pentan-3-ylsulfanylethyl)-3-methyl-3-prop-2-enylpiperidin-2-one

Sources & evidence

ORD record
ord-8fe456f1c8a04949b133f3bcd437b802
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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