Sodium ion → 2-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester

HRID 2159588Notes

Reaction equation

HRID 2159588 reaction equation
[C:24]([NH2:25])([CH3:26])([CH3:27])[CH3:28].[C:29]([CH:30]=[CH2:31])(=[O:32])[O:33][CH2:34][CH:35]([CH2:36][CH2:37][CH2:38][CH3:39])[CH2:40][CH3:41].[C:44]([O:45][CH:46]([CH2:47][CH3:48])[CH2:49][CH2:50][CH2:51][CH2:52][CH3:53])(=[O:54])[CH:55]=[CH2:56].[CH3:10][CH2:11][C:12](=[O:13])[OH:14].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([NH2:9])[cH:7][cH:8]1.[N:20]([O-:21])=[O:22].[Na+:23].[Na+:43].[OH-:42].[OH2:57].[S:15](=[O:16])(=[O:17])([OH:18])[OH:19]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH:31]=[CH:30][C:29](=[O:32])[O:33][CH2:34][CH:35]([CH2:36][CH2:37][CH2:38][CH3:39])[CH2:40][CH3:41])[cH:7][cH:8]1

Participants

11

Reactant 10

HCID 923Sodium ion2×HCID 946NitriteHCID 961HydroxideHCID 962WaterHCID 1032Propionic AcidHCID 1118Sulfuric AcidHCID 6385Tert-ButylamineHCID 76362-Ethylhexyl acrylateHCID 7732P-AnisidineHCID 15748566Octane-3-yl acrylate

Product 1

HCID 216302-Propenoic acid, 3-(4-methoxyphenyl)-, 2-ethylhexyl ester

Sources & evidence

ORD record
ord-5284b5a4a38b40bb91ade02ede014b6f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…