Toluene → 2-{4-[2-(3,4-Dimethyl-phenyl)-ethyl]phenylamino)-5-nitrobenzoic acid methyl ester

HRID 154051

Reaktionsgleichung

[C:32](=[O:33])([O-:34])[O-:35].[CH3:18][O:19][C:20]([c:21]1[c:22]([Br:30])[cH:23][cH:24][c:25]([N+:27](=[O:28])[O-:29])[cH:26]1)=[O:31].[CH3:1][c:2]1[cH:3][c:4]([CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([NH2:17])[cH:15][cH:16]2)[cH:5][cH:6][c:7]1[CH3:8].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[Cs+:36].[Cs+:37]>>[CH3:1][c:2]1[cH:3][c:4]([CH2:9][CH2:10][c:11]2[cH:12][cH:13][c:14]([NH:17][c:22]3[c:21]([C:20]([O:19][CH3:18])=[O:31])[cH:26][c:25]([N+:27](=[O:28])[O-:29])[cH:24][cH:23]3)[cH:15][cH:16]2)[cH:5][cH:6][c:7]1[CH3:8]

Komponenten

Edukt 5

HCID 1140Toluene

HCID 19660Carbonate Ion

HCID 104967Cesium cation2×

HCID 245494Methyl 2-Bromo-5-nitrobenzoate

HCID 145552094-[2-(3,4-Dimethylphenyl)ethyl]-benzenamine

Produkt 1

HCID 541399142-{4-[2-(3,4-Dimethyl-phenyl)-ethyl]phenylamino)-5-nitrobenzoic acid methyl ester

Quellen und Nachweise

ORD-Eintrag: ord-d6879e5540c049fd95abd7ea470f7518
Quelldatensatz: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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