Acetate → Methyl 2-nitro-3-(2,4,6-trimethoxyphenyl)prop-2-enoate

HRID 315487

Reaction equation

HRID 315487 reaction equation
[CH3:1][O:2][c:3]1[c:4]([CH:5]=[O:6])[c:7]([O:13][CH3:14])[cH:8][c:9]([O:11][CH3:12])[cH:10]1.[CH3:22][C:23](=[O:24])[O-:25].[CH3:37][OH:38].[Cl:34][CH2:35][Cl:36].[Mg+2:15].[N+:26](=[O:27])([O-:28])[CH2:29][C:30](=[O:31])[O:32][CH3:33].[NH4+:21].[O-:16][S:17](=[O:18])(=[O:19])[O-:20].[OH2:39]>>[CH3:1][O:2][c:3]1[c:4]([CH:5]=[C:29]([N+:26](=[O:27])[O-:28])[C:30](=[O:31])[O:32][CH3:33])[c:7]([O:13][CH3:14])[cH:8][c:9]([O:11][CH3:12])[cH:10]1

Participants

10

Reactant 9

HCID 175AcetateHCID 223AmmoniumHCID 887MethanolHCID 888Magnesium CationHCID 962WaterHCID 1117Sulfate IonHCID 6344DichloromethaneHCID 17206Methyl 2-nitroacetateHCID 700192,4,6-Trimethoxybenzaldehyde

Product 1

HCID 85535481Methyl 2-nitro-3-(2,4,6-trimethoxyphenyl)prop-2-enoate

Sources & evidence

ORD record
ord-081a548485d747bb8362241dffe11e4c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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