Acetic Acid → Methyl 3-(3,5-dimethoxyphenyl)-2-(4-isopropyloxyphenyl)-3-oxopropionate

HRID 317648

Reaction equation

HRID 317648 reaction equation
[CH3:32][C:33](=[O:34])[OH:35].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:3][O:4][c:5]1[cH:6][c:7]([C:8]([O:10][CH3:9])=[O:11])[cH:12][c:13]([O:15][CH3:16])[cH:14]1.[CH:17]([CH3:18])([CH3:19])[O:20][c:21]1[cH:22][cH:23][c:24]([CH2:27][C:28](=[O:29])[O:30][CH3:31])[cH:25][cH:26]1.[H-:1].[Na+:2].[OH2:43]>>[CH3:3][O:4][c:5]1[cH:6][c:7]([C:8](=[O:10])[CH:27]([c:24]2[cH:23][cH:22][c:21]([O:20][CH:17]([CH3:18])[CH3:19])[cH:26][cH:25]2)[C:28](=[O:29])[O:30][CH3:31])[cH:12][c:13]([O:15][CH3:16])[cH:14]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 75074Methyl 3,5-DimethoxybenzoateHCID 166653HydrideHCID 525538Methyl 2-(4-isopropoxyphenyl)acetate

Product 1

HCID 66674372Methyl 3-(3,5-dimethoxyphenyl)-2-(4-isopropyloxyphenyl)-3-oxopropionate

Sources & evidence

ORD record
ord-98682d592da5414eadb3c8f3ad184550
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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