Benzene → Hydrochloric Acid

Reaction equation

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

Participants

Reactant 5

HCID 241Benzene

HCID 312Chloride

HCID 8471Triethylamine

HCID 1013593-(4-Fluorobenzoyl)propionic acid

HCID 203737134-Methoxy-4-(1-methylethyl)piperidine

Product 2

HCID 313Hydrochloric Acid

HCID 20373716

Sources & evidence

ORD record: ord-802668f3e1ee4ef493f3c2c938c26cf1
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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