Hydrochloric Acid → 3-(2-piperidin-4-yl-phenylsulfanyl)-1H-indole

Reaction equation

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

Participants

Reactant 5

HCID 313Hydrochloric Acid

HCID 769Bicarbonate Ion

HCID 923Sodium Ion

HCID 3283Diethyl Ether

HCID 686342064-[2-(1H-indol-3-ylsulfanyl)-phenyl]-piperidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 116952463-(2-piperidin-4-yl-phenylsulfanyl)-1H-indole

Sources & evidence

ORD record: ord-05085e0a1d6f46dd9fa0711546bb6fe3
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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