Ammonium → 1-[(4-Tert-butylphenyl)methyl]-2-[(3,4-dichlorophenyl)-(dimethylamino)methyl]cyclohexan-1-ol

HRID 305770

Reaction equation

HRID 305770 reaction equation
[C:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[cH:7][cH:8][c:9]([CH2:10][Cl:11])[cH:12][cH:13]1.[Cl-:33].[Cl:14][c:15]1[cH:16][c:17]([CH:22]([CH:23]2[C:24](=[O:29])[CH2:25][CH2:26][CH2:27][CH2:28]2)[N:30]([CH3:31])[CH3:32])[cH:18][cH:19][c:20]1[Cl:21].[Mg:1].[NH4+:34]>>[C:2]([CH3:3])([CH3:4])([CH3:5])[c:6]1[cH:7][cH:8][c:9]([CH2:10][C:24]2([OH:29])[CH:23]([CH:22]([c:17]3[cH:16][c:15]([Cl:14])[c:20]([Cl:21])[cH:19][cH:18]3)[N:30]([CH3:31])[CH3:32])[CH2:28][CH2:27][CH2:26][CH2:25]2)[cH:12][cH:13]1

Participants

6

Reactant 5

HCID 223AmmoniumHCID 312ChlorideHCID 88198Benzene, 1-(chloromethyl)-4-(1,1-dimethylethyl)-HCID 5462224MagnesiumHCID 699429172-[(3,4-Dichlorophenyl)dimethylaminomethyl]cyclohexanone

Product 1

HCID 224478401-[(4-Tert-butylphenyl)methyl]-2-[(3,4-dichlorophenyl)-(dimethylamino)methyl]cyclohexan-1-ol

Sources & evidence

ORD record
ord-1abf1856699b41a08925efc63f83ac23
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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