Sodium ion → 4-{2-[4-(2-Dimethylamino-ethoxy)-phenyl]-4-hydroxymethyl-4-methyl-cyclohex-1-enyl}-phenol

HRID 284154Notes

Reaction equation

HRID 284154 reaction equation
[CH3:1][C:2]1([CH2:22][OH:23])[CH2:3][C:4]([c:15]2[cH:16][cH:17][c:18]([OH:21])[cH:19][cH:20]2)=[C:5]([c:8]2[cH:9][cH:10][c:11]([OH:14])[cH:12][cH:13]2)[CH2:6][CH2:7]1.[Cl:26][CH2:27][CH2:28][N:29]([CH3:30])[CH3:31].[H-:25].[Na+:24].[O:32]=[CH:33][N:34]([CH3:35])[CH3:36]>>[CH3:1][C:2]1([CH2:22][OH:23])[CH2:3][C:4]([c:15]2[cH:16][cH:17][c:18]([O:21][CH2:27][CH2:28][N:29]([CH3:30])[CH3:31])[cH:19][cH:20]2)=[C:5]([c:8]2[cH:9][cH:10][c:11]([OH:14])[cH:12][cH:13]2)[CH2:6][CH2:7]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 79012-Chloro-N,N-dimethylethylamineHCID 166653HydrideHCID 18436330(1-Methyl-3,4-di(4-hydroxy-phenyl)-cyclohex-3-enyl)-methanol

Product 1

HCID 184363414-{2-[4-(2-Dimethylamino-ethoxy)-phenyl]-4-hydroxymethyl-4-methyl-cyclohex-1-enyl}-phenol

Sources & evidence

ORD record
ord-eb416c0c1a654be3a96cf31e10474ec4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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