Water → Methyl 4-bromo-2-nitrobenzoate

HRID 90202

Reaction equation

HRID 90202 reaction equation
[Br:1][c:2]1[cH:3][c:4]([N+:11](=[O:12])[O-:13])[c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[CH3:36][I:37].[N:14]1([CH:16]2[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[CH2:15][CH2:35][CH2:34][CH2:33][CH2:32][CH2:31][NH:30][CH2:29][CH2:28][CH2:27]1.[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:38]>>[Br:1][c:2]1[cH:3][c:4]([N+:11](=[O:12])[O-:13])[c:5]([C:6](=[O:7])[O:8][CH3:15])[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 6328Methyl iodideHCID 37744674-Bromo-2-nitrobenzoic acidHCID 226248441,8-Diazabicycloundecane

Product 1

HCID 18350461Methyl 4-bromo-2-nitrobenzoate

Sources & evidence

ORD record
ord-37c3956abe0f4c4fbc987ef0305eb6ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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