Hydrochloric Acid → 4-{1-[Bis(4-fluorophenyl)-methyl]-piperidin-4-yl}-butan-1-ol

HRID 169112

Reaction equation

HRID 169112 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[ClH:1].[F:36][c:37]1[cH:38][cH:39][c:40]([CH:43]([Cl:44])[c:45]2[cH:46][cH:47][c:48]([F:51])[cH:49][cH:50]2)[cH:41][cH:42]1.[I-:53].[K+:34].[K+:35].[K+:52].[NH:2]1[CH2:3][CH2:4][CH:5]([CH2:8][CH2:9][CH2:10][CH2:11][OH:12])[CH2:6][CH2:7]1.[O-:13][S:14]([c:15]1[cH:16][cH:17][c:18]([CH3:19])[cH:20][cH:21]1)(=[O:22])=[O:23].[O:54]1[CH:55]=[CH:56][CH2:57][CH2:58][CH2:59]1.[nH+:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[N:2]1([CH:43]([c:40]2[cH:39][cH:38][c:37]([F:36])[cH:42][cH:41]2)[c:45]2[cH:46][cH:47][c:48]([F:51])[cH:49][cH:50]2)[CH2:3][CH2:4][CH:5]([CH2:8][CH2:9][CH2:10][CH2:11][OH:12])[CH2:6][CH2:7]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 813Potassium Cation3×HCID 80803,4-dihydro-2H-pyranHCID 19660Carbonate IonHCID 30165Iodide IonHCID 85570p-ToluenesulfonateHCID 27237731,1'-(Chloromethylene)bis(4-fluorobenzene)HCID 27846684-(4-Piperidyl)-1-butanolHCID 4989215Pyridinium

Product 1

HCID 184257114-{1-[Bis(4-fluorophenyl)-methyl]-piperidin-4-yl}-butan-1-ol

Sources & evidence

ORD record
ord-a011e362840f4873864b93918fefd9f3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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