1,2-Dichloroethane → Methyl 2-hydroxy-4-(methylamino)-5-nitrobenzoate

Reaction equation

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

Participants

Reactant 4

HCID 111,2-Dichloroethane

HCID 312Chloride3×

HCID 104727Aluminum Cation

HCID 67331452Methyl 2-methoxy-4-(methylamino)-5-nitrobenzoate

Product 1

HCID 67502601Methyl 2-hydroxy-4-(methylamino)-5-nitrobenzoate

Sources & evidence

ORD record: ord-9fbcadc06bfb4440b13e9d1df12faee5
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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