Water → Methyl 2-(2,4-dimethoxyphenyl)-5-nitrobenzoate

HRID 2143778Notes

Reaction equation

HRID 2143778 reaction equation
[Br:14][c:15]1[c:16]([C:17](=[O:18])[O:19][CH3:20])[cH:21][c:22]([N+:25](=[O:26])[O-:27])[cH:23][cH:24]1.[C:28](=[O:29])([O-:30])[O-:31].[CH2:87]([O:88][CH2:89][CH3:90])[CH3:91].[CH3:1][O:2][c:3]1[c:4]([B:11]([OH:12])[OH:13])[cH:5][cH:6][c:7]([O:9][CH3:10])[cH:8]1.[CH3:34][CH2:35][O:36][C:37](=[O:38])[CH3:39].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[Cs+:32].[Cs+:33].[OH2:86].[Pd:45]([Cl:46])[Cl:47].[c:48]1([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63][cH:64][cH:65][cH:66]1.[c:67]1([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[cH:81][cH:82][cH:83][cH:84][cH:85]1>>[CH3:1][O:2][c:3]1[c:4](-[c:15]2[c:16]([C:17](=[O:18])[O:19][CH3:20])[cH:21][c:22]([N+:25](=[O:26])[O-:27])[cH:23][cH:24]2)[cH:5][cH:6][c:7]([O:9][CH3:10])[cH:8]1

Participants

11

Reactant 10

HCID 962WaterHCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 104967Cesium cation2×HCID 245494Methyl 2-Bromo-5-nitrobenzoateHCID 27343412,4-Dimethoxybenzeneboronic acid

Product 1

HCID 57990576Methyl 2-(2,4-dimethoxyphenyl)-5-nitrobenzoate

Sources & evidence

ORD record
ord-8b6a6edd459042e5966398a742eff81a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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