Pyridine → Benzoic acid, 4-nitro-, 2-ethylhexyl ester

HRID 1216732

Reaction equation

HRID 1216732 reaction equation
[CH2:1]([CH3:2])[CH:3]([CH2:4][OH:5])[CH2:6][CH2:7][CH2:8][CH3:9].[Cl:10][CH2:11][Cl:12].[N+:13](=[O:14])([O-:15])[c:16]1[cH:17][cH:18][c:19]([C:20](=[O:21])[Cl:22])[cH:23][cH:24]1.[cH:25]1[cH:26][cH:27][n:28][cH:29][cH:30]1>>[CH2:1]([CH3:2])[CH:3]([CH2:4][O:5][C:20]([c:19]1[cH:18][cH:17][c:16]([N+:13](=[O:14])[O-:15])[cH:24][cH:23]1)=[O:21])[CH2:6][CH2:7][CH2:8][CH3:9]

Participants

5

Reactant 4

HCID 1049PyridineHCID 6344DichloromethaneHCID 77202-EthylhexanolHCID 85024-Nitrobenzoyl chloride

Product 1

HCID 591313Benzoic acid, 4-nitro-, 2-ethylhexyl ester

Sources & evidence

ORD record
ord-fc7877384419418bbbba709a803178aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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