Water → 2-Isopropyl-4-nitro-benzoic acid 2-(2-isopropyl-imidazol-1-yl)-ethyl ester

HRID 89693

Reaction equation

HRID 89693 reaction equation
[Br:1][CH2:2][CH2:3][O:4][C:5]([c:6]1[c:7]([CH:15]([CH3:16])[CH3:17])[cH:8][c:9]([N+:12](=[O:13])[O-:14])[cH:10][cH:11]1)=[O:18].[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH:26]([CH3:27])([CH3:28])[c:29]1[nH:30][cH:31][cH:32][n:33]1.[O:34]=[CH:35][N:36]([CH3:37])[CH3:38].[OH2:39]>>[CH2:2]([CH2:3][O:4][C:5]([c:6]1[c:7]([CH:15]([CH3:16])[CH3:17])[cH:8][c:9]([N+:12](=[O:13])[O-:14])[cH:10][cH:11]1)=[O:18])[n:30]1[c:29]([CH:26]([CH3:27])[CH3:28])[n:33][cH:32][cH:31]1

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 1234571H-Imidazole, 2-(1-methylethyl)-HCID 671063212-Isopropyl-4-nitro-benzoic acid 2-bromo-ethyl ester

Product 1

HCID 671069432-Isopropyl-4-nitro-benzoic acid 2-(2-isopropyl-imidazol-1-yl)-ethyl ester

Sources & evidence

ORD record
ord-da00992ab8e544d7bb231c5f477136a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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