Acetonitrile → Ethyl 4-(2-isopropyl-1H-imidazol-1-yl)-3-nitrobenzoate

HRID 1551622Notes

Reaction equation

HRID 1551622 reaction equation
[CH3:33][C:34]#[N:35].[CH:16]([CH3:17])([CH3:18])[c:19]1[nH:20][cH:21][cH:22][n:23]1.[CH:24]([N:25]([CH2:26][CH3:27])[CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[F:1][c:2]1[c:3]([N+:13](=[O:14])[O-:15])[cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][cH:12]1>>[c:2]1(-[n:20]2[c:19]([CH:16]([CH3:17])[CH3:18])[n:23][cH:22][cH:21]2)[c:3]([N+:13](=[O:14])[O-:15])[cH:4][c:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])[cH:11][cH:12]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 1234571H-Imidazole, 2-(1-methylethyl)-HCID 21277355Ethyl 4-fluoro-3-nitrobenzoate

Product 1

HCID 59198553Ethyl 4-(2-isopropyl-1H-imidazol-1-yl)-3-nitrobenzoate

Sources & evidence

ORD record
ord-a2c673c270b84d0ebfad434674559a3a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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