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Methanol → [2-Fluoro-4-(8,8-dimethyl-5-oxo-5,6,7,8-tetrahydronaphthalene-2-yl-ethynyl)phenyl]-acetic Acid

HRID 196382
Notes
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Reaction equation

HRID 196382 reaction equation
[CH3:1][O:2][C:3]([CH2:4][c:5]1[c:6]([F:26])[cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][c:15]3[c:20]([cH:21][cH:22]2)[C:19](=[O:23])[CH2:18][CH2:17][C:16]3([CH3:24])[CH3:25])[cH:9][cH:10]1)=[O:27].[CH3:28][OH:29].[CH3:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[Li+:33].[OH-:32].[OH2:30].[OH2:31]>>[O:2]=[C:3]([CH2:4][c:5]1[c:6]([F:26])[cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][c:15]3[c:20]([cH:21][cH:22]2)[C:19](=[O:23])[CH2:18][CH2:17][C:16]3([CH3:24])[CH3:25])[cH:9][cH:10]1)[OH:27]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 8058HexaneHCID 8857Ethyl AcetateHCID 28486Lithium ionHCID 57424271[2-Fluoro-4-(8,8-dimethyl-5-oxo-5,6,7,8-tetrahydronaphthalene-2-ylethynyl)phenyl]acetic acid methyl ester

Product 1

HCID 9968269[2-Fluoro-4-(8,8-dimethyl-5-oxo-5,6,7,8-tetrahydronaphthalene-2-yl-ethynyl)phenyl]-acetic Acid

Sources & evidence

ORD record
ord-80200ec108404c0399d09a6ada73661d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes