Chloride → tert-Butyl 4-bromo-2-nitrobenzoate

HRID 315830Notes

Reaction equation

HRID 315830 reaction equation
[Br:26][C:27]([CH3:28])([CH3:29])[CH3:30].[Br:7][c:8]1[cH:9][c:10]([N+:17](=[O:18])[O-:19])[c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16]1.[C:20](=[O:21])([O-:22])[O-:23].[CH2:32]([N+:33]([CH2:34][CH3:35])([CH2:36][CH3:37])[CH2:38][CH3:39])[c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH3:1][N:2]([CH3:3])[C:4](=[O:5])[CH3:6].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cl-:31].[K+:24].[K+:25].[OH2:52]>>[Br:7][c:8]1[cH:9][c:10]([N+:17](=[O:18])[O-:19])[c:11]([C:12](=[O:13])[O:14][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:15][cH:16]1

Participants

10

Reactant 9

HCID 312ChlorideHCID 813Potassium Cation2×HCID 962WaterHCID 8857Ethyl AcetateHCID 10485t-Butyl bromideHCID 17208BenzyltriethylammoniumHCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 37744674-Bromo-2-nitrobenzoic acid

Product 1

HCID 26369829tert-Butyl 4-bromo-2-nitrobenzoate

Sources & evidence

ORD record
ord-bff069a957974c4580bcfcd14a49b7f9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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