1,2-Dichloroethane → 2-Dimethylaminomethyl-6-(4-methoxyphenyl)-cyclohexanone

HRID 86687

Reaction equation

HRID 86687 reaction equation
[CH2:16]([Cl:17])[CH2:18][Cl:19].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[C:10](=[O:15])[CH2:11][CH2:12][CH2:13][CH2:14]2)[cH:7][cH:8]1.[CH3:20][NH2+:21][CH3:22].[CH3:23][C:24](=[O:25])[Cl:26].[CH3:33][C:34]#[N:35].[Cl:30][CH2:31][Cl:32].[ClH:27].[Na+:29].[OH-:28]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[C:10](=[O:15])[CH:11]([CH2:23][N:21]([CH3:20])[CH3:22])[CH2:12][CH2:13][CH2:14]2)[cH:7][cH:8]1

Participants

10

Reactant 9

HCID 111,2-DichloroethaneHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 6367Acetyl chlorideHCID 2542922-(4-Methoxyphenyl)cyclohexanoneHCID 3614769Dimethylaminium

Product 1

HCID 222217022-Dimethylaminomethyl-6-(4-methoxyphenyl)-cyclohexanone

Sources & evidence

ORD record
ord-218f80200a3a4a5895069c9e9de64dd8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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