Chloride → Cumene

HRID 2126974Notes

Reaction equation

HRID 2126974 reaction equation
[Al+3:11].[CH:25]([Cl:26])([Cl:27])[Cl:28].[Cl-:10].[Cl-:12].[Cl-:13].[Cl-:23].[ClH:24].[O-:1][N+:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[c:14]1([CH:20]([CH3:21])[CH3:22])[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[O:1]=[N+:2]([O-:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[c:14]1([CH:20]([CH3:21])[CH3:22])[cH:15][cH:16][cH:17][cH:18][cH:19]1

Participants

8

Reactant 6

HCID 312Chloride4×HCID 313Hydrochloric AcidHCID 6212ChloroformHCID 7406CumeneHCID 7416NitrobenzeneHCID 104727Aluminum Cation

Product 2

HCID 7406CumeneHCID 7416Nitrobenzene

Sources & evidence

ORD record
ord-f3a6b1c4a9a140aab347a5d2e7b82369
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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