Ammonium → 2-[3-[4-[3-[4-(3-Ethyl-3-hydroxypent-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-4-hydroxy-5-methoxyphenyl]acetic acid

HRID 286252Notes

Reaction equation

HRID 286252 reaction equation
[CH3:3][O:4][C:5]([CH2:6][c:7]1[cH:8][c:9](-[c:16]2[c:17]([CH3:42])[cH:18][c:19]([C:22]([CH2:23][CH3:24])([c:25]3[cH:26][c:27]([CH3:39])[c:28]([CH:31]=[CH:32][C:33]([CH2:34][CH3:35])([OH:36])[CH2:37][CH3:38])[cH:29][cH:30]3)[CH2:40][CH3:41])[cH:20][cH:21]2)[c:10]([OH:15])[c:11]([O:13][CH3:14])[cH:12]1)=[O:43].[CH3:51][OH:52].[Cl-:44].[NH4+:45].[Na+:2].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH-:1]>>[O:4]=[C:5]([CH2:6][c:7]1[cH:8][c:9](-[c:16]2[c:17]([CH3:42])[cH:18][c:19]([C:22]([CH2:23][CH3:24])([c:25]3[cH:26][c:27]([CH3:39])[c:28]([CH:31]=[CH:32][C:33]([CH2:34][CH3:35])([OH:36])[CH2:37][CH3:38])[cH:29][cH:30]3)[CH2:40][CH3:41])[cH:20][cH:21]2)[c:10]([OH:15])[c:11]([O:13][CH3:14])[cH:12]1)[OH:43]

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 67065235(4'-{1-ethyl-1-[4-(3-ethyl-3-hydroxy-1-pentenyl)-3-methyl-phenyl]-propyl}-6-hydroxy-5-methoxy-2'-methyl-biphenyl-3-yl)-acetic Acid Methyl Ester

Product 1

HCID 670651622-[3-[4-[3-[4-(3-Ethyl-3-hydroxypent-1-enyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl]-4-hydroxy-5-methoxyphenyl]acetic acid

Sources & evidence

ORD record
ord-3734c918a3e343dba8d7d18d79fac790
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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