1,2-Dichloroethane → HCID 20094804, compound

Reaction equation

[Al+3:24].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:9][CH:10]([CH2:11][CH2:12][C:13](=[O:14])[OH:15])[N+:16](=[O:17])[O-:18])[cH:6][cH:7][cH:8]1.[Cl-:23].[Cl-:25].[Cl-:26].[Cl:28][CH2:29][CH2:30][Cl:31].[OH2:27].[S:19]([Cl:20])([Cl:21])=[O:22]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([cH:7][cH:8]1)[C:13](=[O:15])[CH2:12][CH2:11][CH:10]([N+:16](=[O:17])[O-:18])[CH2:9]2

Participants

Reactant 6

HCID 111,2-Dichloroethane

HCID 312Chloride3×

HCID 962Water

HCID 24386Thionyl Chloride

HCID 104727Aluminum Cation

HCID 200948615-(3-Methoxyphenyl)-4-nitrovaleric acid

Product 1

HCID 20094804HCID 20094804, compound

Sources & evidence

ORD record: ord-74c8b3fb711f4803b2ac9b4bfe06c3cf
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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