Ethylene Glycol → N-benzyl-3-nitroaniline

HRID 2321238Notes

Reaction equation

HRID 2321238 reaction equation
[C:33]([O:34][CH2:35][CH3:36])(=[O:37])[CH3:38].[CH3:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[CH3:45][CH:46]([OH:47])[CH3:48].[Cu:31][I:32].[I:17][c:18]1[cH:19][c:20]([N+:24](=[O:25])[O-:26])[cH:21][cH:22][cH:23]1.[K+:6].[K+:7].[K+:8].[NH2:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[OH:27][CH2:28][CH2:29][OH:30].[P:1]([O-:2])([O-:3])([O-:4])=[O:5]>>[NH:9]([CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[c:18]1[cH:19][c:20]([N+:24](=[O:25])[O-:26])[cH:21][cH:22][cH:23]1

Participants

10

Reactant 9

HCID 174Ethylene GlycolHCID 813Potassium Cation3×HCID 1061PhosphateHCID 3776IsopropanolHCID 7504BenzylamineHCID 8058HexaneHCID 8857Ethyl AcetateHCID 125741-Iodo-3-nitrobenzeneHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

Product 1

HCID 682324N-benzyl-3-nitroaniline

Sources & evidence

ORD record
ord-f0b17765e25c4a45a59d826f470fbb57
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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