Sodium ion → (RS)-1-[(3SR,4SR)-1-Benzyl-3-(4-chloro-phenyl)-piperidin-4-yl]-ethanol

HRID 668163Notes

Reaction equation

HRID 668163 reaction equation
[Al+3:25].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH:11]([C:14]([CH3:15])=[O:16])[CH2:12][CH2:13]1.[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[H-:24].[H-:27].[H-:28].[H-:29].[Li+:26].[Na+:31].[Na+:32].[Na+:33].[O-:34][S:35]([O-:36])(=[O:37])=[O:38].[OH-:30].[OH2:44].[OH2:50]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]([c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[CH:11]([CH:14]([CH3:15])[OH:16])[CH2:12][CH2:13]1

Participants

11

Reactant 10

HCID 923Sodium ion3×HCID 961HydroxideHCID 962Water2×HCID 1117Sulfate IonHCID 8028Tetrahydrofuran2×HCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 104727Aluminum CationHCID 166653Hydride4×HCID 684757041-[(3SR,4RS)-1-Benzyl-3-(4-chloro-phenyl)-piperidin-4-yl]-ethanone

Product 1

HCID 68475389(RS)-1-[(3SR,4SR)-1-Benzyl-3-(4-chloro-phenyl)-piperidin-4-yl]-ethanol

Sources & evidence

ORD record
ord-1bb434378988480698cd39609d00f067
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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