Sodium ion → 1-[2-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethyl]-4-phenylpiperidin-4-ol

HRID 95597Notes

Reaction equation

HRID 95597 reaction equation
[CH3:43][CH:44]([CH3:45])[CH2:46][C:47](=[O:48])[CH3:49].[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[OH:24][C:25]1([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]1.[S:1]([O:2][CH2:12][CH2:13][CH:14]1[CH2:15][O:16][c:17]2[c:18]([cH:20][cH:21][cH:22][cH:23]2)[O:19]1)([c:3]1[cH:4][cH:5][c:6]([CH3:7])[cH:8][cH:9]1)(=[O:10])=[O:11]>>[CH2:12]([CH2:13][CH:14]1[CH2:15][O:16][c:17]2[c:18]([cH:20][cH:21][cH:22][cH:23]2)[O:19]1)[N:28]1[CH2:27][CH2:26][C:25]([OH:24])([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[CH2:30][CH2:29]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 7909Methyl Isobutyl KetoneHCID 19660Carbonate IonHCID 963874-Phenylpiperidin-4-olHCID 128505822-(2-Tosyloxyethyl)-1,4-benzodioxan

Product 1

HCID 213319841-[2-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethyl]-4-phenylpiperidin-4-ol

Sources & evidence

ORD record
ord-ae8d9cf5f1b042a78e90665b3bdeffe3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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