1,3-Dimethoxybenzene → Methyl 5-nitro-2-(2,6-dimethoxyphenyl)-benzoate

HRID 207298

Reaction equation

HRID 207298 reaction equation
[Br:1][c:2]1[c:3]([O:10][CH3:11])[cH:4][cH:5][cH:6][c:7]1[O:8][CH3:9].[Br:33][c:34]1[c:35]([C:36](=[O:37])[O:38][CH3:39])[cH:40][c:41]([N+:44](=[O:45])[O-:46])[cH:42][cH:43]1.[CH3:23][O:24][c:25]1[cH:26][cH:27][cH:28][c:29]([O:30][CH3:31])[cH:32]1.[CH:47]([CH2:48][C:49]([O-:50])=[O:51])([CH3:52])[CH3:53].[I:12][c:13]1[c:14]([O:15][CH3:16])[cH:17][cH:18][cH:19][c:20]1[O:21][CH3:22]>>[c:2]1(-[c:34]2[c:35]([C:36](=[O:37])[O:38][CH3:39])[cH:40][c:41]([N+:44](=[O:45])[O-:46])[cH:42][cH:43]2)[c:3]([O:10][CH3:11])[cH:4][cH:5][cH:6][c:7]1[O:8][CH3:9]

Participants

6

Reactant 5

HCID 90251,3-DimethoxybenzeneHCID 245494Methyl 2-Bromo-5-nitrobenzoateHCID 6122962-Bromo-1,3-dimethoxybenzeneHCID 3587356IsovalerateHCID 113914072-Iodo-1,3-dimethoxybenzene

Product 1

HCID 11001627Methyl 5-nitro-2-(2,6-dimethoxyphenyl)-benzoate

Sources & evidence

ORD record
ord-5b7f55bb3b0240088e02f4b09631fc3d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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