Sodium ion → cis-O-(4-Chlorobenzoyl)-4-(4-dimethylaminomethylphenyl)-cyclohexanol

HRID 168953Notes

Reaction equation

HRID 168953 reaction equation
[CH2:46]([Cl:47])[Cl:48].[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:1][N:2]([CH3:3])[CH2:4][c:5]1[cH:6][cH:7][c:8]([CH:11]2[CH2:12][CH2:13][CH:14]([OH:17])[CH2:15][CH2:16]2)[cH:9][cH:10]1.[CH3:25][N:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][n:32]1)[CH3:33].[Cl:34][c:35]1[cH:36][cH:37][c:38]([C:39](=[O:40])[Cl:41])[cH:42][cH:43]1.[Na+:45].[OH-:44].[OH2:49]>>[CH3:1][N:2]([CH3:3])[CH2:4][c:5]1[cH:6][cH:7][c:8]([CH:11]2[CH2:12][CH2:13][CH:14]([O:17][C:39]([c:38]3[cH:37][cH:36][c:35]([Cl:34])[cH:43][cH:42]3)=[O:40])[CH2:15][CH2:16]2)[cH:9][cH:10]1

Participants

9

Reactant 8

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 85014-Chlorobenzoyl chlorideHCID 218852-DimethylaminopyridineHCID 11128215cis-4-(4-Dimethylaminomethylphenyl)-cyclohexanol

Product 1

HCID 15228351cis-O-(4-Chlorobenzoyl)-4-(4-dimethylaminomethylphenyl)-cyclohexanol

Sources & evidence

ORD record
ord-109c48bfa36248d6b528b9bc45fb1b87
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…