Hydrochloric Acid → (4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanone

HRID 682210Notes

Reaction equation

HRID 682210 reaction equation
[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[ClH:14].[F:15][c:16]1[cH:17][cH:18][c:19]([C:20](=[O:21])[CH:22]2[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]2)[cH:28][cH:29]1.[I-:2].[Na+:1].[Na+:30].[Na+:31].[O-:32][C:33](=[O:34])[O-:35].[OH2:36].[c:3]1([CH2:9][CH2:10][CH2:11][CH2:12][Cl:13])[cH:4][cH:5][cH:6][cH:7][cH:8]1>>[c:3]1([CH2:9][CH2:10][CH2:11][CH2:12][N:25]2[CH2:24][CH2:23][CH:22]([C:20]([c:19]3[cH:18][cH:17][c:16]([F:15])[cH:29][cH:28]3)=[O:21])[CH2:27][CH2:26]2)[cH:4][cH:5][cH:6][cH:7][cH:8]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium ion3×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 78543(4-Chlorobutyl)benzeneHCID 27244404-(4-Fluorobenzoyl)piperidine

Product 1

HCID 5234410(4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methanone

Sources & evidence

ORD record
ord-e01b0151693244edbf5c25b44481a327
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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