Bicarbonate Ion → 1-(3-Chloro-2-fluorophenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol

HRID 678756Notes

Reaction equation

HRID 678756 reaction equation
[Cl:1][c:2]1[c:3]([F:29])[c:4]([C:8]([CH2:9][CH2:10][CH2:11][CH2:12][O:13][CH3:14])([OH:15])[CH:16]2[CH2:17][N:18]([C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH2:19][CH2:20][CH2:21]2)[cH:5][cH:6][cH:7]1.[Cl:42][CH2:43][Cl:44].[F:35][C:36]([F:37])([F:38])[C:39]([OH:40])=[O:41].[Na+:34].[O-:30][C:31]([OH:32])=[O:33]>>[Cl:1][c:2]1[c:3]([F:29])[c:4]([C:8]([CH2:9][CH2:10][CH2:11][CH2:12][O:13][CH3:14])([OH:15])[CH:16]2[CH2:17][NH:18][CH2:19][CH2:20][CH2:21]2)[cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 72283032Tert-butyl 3-[1-(3-chloro-2-fluorophenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxylate

Product 1

HCID 691762191-(3-Chloro-2-fluorophenyl)-5-methoxy-1-piperidin-3-ylpentan-1-ol

Sources & evidence

ORD record
ord-2322fdf6041049cd8bab9d81cf95fc12
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…