Acetate → (5-Bromo-2-methyl-phenyl)-(2-chloro-4-nitro-phenyl)-methanone

HRID 1123213Notes

Reaction equation

HRID 1123213 reaction equation
[Br:1][c:2]1[cH:3][c:4]([I:9])[c:5]([CH3:8])[cH:6][cH:7]1.[C:33]([O-:34])(=[O:35])[CH3:36].[C:38]([O-:39])(=[O:40])[CH3:41].[CH2:15]1[O:16][CH2:17][CH2:18][CH2:19]1.[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[CH:11]([Mg+:12])([CH3:13])[CH3:14].[Cl-:10].[Cl:20][c:21]1[c:22]([C:23](=[O:24])[Cl:25])[cH:26][cH:27][c:28]([N+:30](=[O:31])[O-:32])[cH:29]1.[Cu+2:37].[OH2:48]>>[Br:1][c:2]1[cH:3][c:4]([C:23]([c:22]2[c:21]([Cl:20])[cH:29][c:28]([N+:30](=[O:31])[O-:32])[cH:27][cH:26]2)=[O:24])[c:5]([CH3:8])[cH:6][cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 312ChlorideHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 27099Cupric cationHCID 81522Benzoyl chloride, 2-chloro-4-nitro-HCID 154429474-Bromo-2-iodo-1-methylbenzeneHCID 178461726HCID 178461726, compound

Product 1

HCID 67314400(5-Bromo-2-methyl-phenyl)-(2-chloro-4-nitro-phenyl)-methanone

Sources & evidence

ORD record
ord-ad421232b33e4e409727ea52c7aed42d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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