Chloride → (5-Bromo-2-methoxyphenyl)acetone

HRID 1229022Notes

Reaction equation

HRID 1229022 reaction equation
[Br:1][c:2]1[c:3]([O:4][CH3:5])[cH:6][cH:7][c:9]([CH:11]=[O:8])[cH:10]1.[CH2:17]([NH2:18])[CH2:19][CH2:20][CH3:21].[CH3:12][CH2:13][N+:14](=[O:15])[O-:16].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Cl-:51].[Cl-:53].[Cl-:54].[ClH:37].[Fe+3:52].[Fe:55].[N+:22]([O-:23])(=[O:24])[C:25](=[CH:26][c:27]1[cH:28][c:29]([Br:35])[cH:30][cH:31][c:32]1[O:33][CH3:34])[CH3:36].[OH2:45].[OH2:46].[OH2:47].[OH2:48].[OH2:49].[OH2:50]>>[O:8]=[C:25]([CH2:26][c:27]1[cH:28][c:29]([Br:35])[cH:30][cH:31][c:32]1[O:33][CH3:34])[CH3:36]

Participants

11

Reactant 10

HCID 312Chloride3×HCID 313Hydrochloric AcidHCID 962Water6×HCID 1140TolueneHCID 6587NitroethaneHCID 8007ButylamineHCID 23925IronHCID 29936Ferric cationHCID 986623-Bromo-4-methoxybenzaldehydeHCID 2826087HCID 2826087, compound

Product 1

HCID 22388465(5-Bromo-2-methoxyphenyl)acetone

Sources & evidence

ORD record
ord-f2457347d3ed4ca6a3bfd1115d9df87a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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