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Methanol → 2-[4-[4-[3-[4-[2-(4-Hydroxyoxan-4-yl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]phenyl]acetic acid

HRID 295591
Notes
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Reaction equation

HRID 295591 reaction equation
[CH3:3][O:4][C:5]([CH2:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[c:14]([CH3:40])[cH:15][c:16]([C:19]([CH2:20][CH3:21])([c:22]3[cH:23][c:24]([CH3:37])[c:25]([CH:28]=[CH:29][C:30]4([OH:36])[CH2:31][CH2:32][O:33][CH2:34][CH2:35]4)[cH:26][cH:27]3)[CH2:38][CH3:39])[cH:17][cH:18]2)[cH:11][cH:12]1)=[O:41].[CH3:47][OH:48].[Na+:2].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH-:1]>>[O:4]=[C:5]([CH2:6][c:7]1[cH:8][cH:9][c:10](-[c:13]2[c:14]([CH3:40])[cH:15][c:16]([C:19]([CH2:20][CH3:21])([c:22]3[cH:23][c:24]([CH3:37])[c:25]([CH:28]=[CH:29][C:30]4([OH:36])[CH2:31][CH2:32][O:33][CH2:34][CH2:35]4)[cH:26][cH:27]3)[CH2:38][CH3:39])[cH:17][cH:18]2)[cH:11][cH:12]1)[OH:41]
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 67065108Methyl 2-[4-[4-[3-[4-[2-(4-hydroxyoxan-4-yl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]phenyl]acetate

Product 1

HCID 67065095
2-[4-[4-[3-[4-[2-(4-Hydroxyoxan-4-yl)ethenyl]-3-methylphenyl]pentan-3-yl]-2-methylphenyl]phenyl]acetic acid

Sources & evidence

ORD record
ord-c81557913f664d159a0f764b360721c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes