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Methanol → 6-{1-[4-(3,3-Dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl}-benzo[b]thiophene-2-carboxylic acid

HRID 92949
Notes
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Reaction equation

HRID 92949 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:9]([s:10]1)[cH:11][c:12]([C:15]([CH2:16][CH3:17])([CH2:18][CH3:19])[c:20]1[cH:21][c:22]([CH3:34])[c:23]([O:26][CH2:27][C:28]([C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[cH:24][cH:25]1)[cH:13][cH:14]2.[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:37][OH:38].[Na+:36].[OH-:35]>>[O:3]=[C:4]([OH:5])[c:6]1[cH:7][c:8]2[c:9]([s:10]1)[cH:11][c:12]([C:15]([CH2:16][CH3:17])([CH2:18][CH3:19])[c:20]1[cH:21][c:22]([CH3:34])[c:23]([O:26][CH2:27][C:28]([C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[cH:24][cH:25]1)[cH:13][cH:14]2
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 578353846-{1-[4-(3,3-Dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl}-benzo[b]thiophene-2-carboxylic acid ethyl ester

Product 1

HCID 11465160
6-{1-[4-(3,3-Dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl}-benzo[b]thiophene-2-carboxylic acid

Sources & evidence

ORD record
ord-3314ddc3e77b4fabb9275fe9cc1e27ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes