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Water → 3-Methyl-5-[4,4,4-trifluoro-3-hydroxy-3-(3,4,5-trichloro-phenyl)-butyryl]-furan-2-carboxylic acid methyl ester

HRID 115798
Notes
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Reaction equation

HRID 115798 reaction equation
[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:18][O:19][C:20](=[O:21])[c:22]1[o:23][c:24]([C:28]([CH3:29])=[O:30])[cH:25][c:26]1[CH3:27].[CH3:31][O:32][C:33]([CH3:34])([CH3:35])[CH3:36].[F:3][C:4]([C:5](=[O:6])[c:7]1[cH:8][c:9]([Cl:15])[c:10]([Cl:14])[c:11]([Cl:13])[cH:12]1)([F:16])[F:17].[H-:1].[Li+:2].[OH2:42]>>[F:3][C:4]([C:5]([OH:6])([c:7]1[cH:8][c:9]([Cl:15])[c:10]([Cl:14])[c:11]([Cl:13])[cH:12]1)[CH2:29][C:28]([c:24]1[o:23][c:22]([C:20]([O:19][CH3:18])=[O:21])[c:26]([CH3:27])[cH:25]1)=[O:30])([F:16])[F:17]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 962WaterHCID 8028TetrahydrofuranHCID 15413tert-Butyl methyl etherHCID 28486Lithium ionHCID 166653HydrideHCID 580775942,2,2-Trifluoro-1-(3,4,5-trichlorophenyl)ethan-1-oneHCID 66587192Methyl 5-acetyl-3-methylfuran-2-carboxylate

Product 1

HCID 866812923-Methyl-5-[4,4,4-trifluoro-3-hydroxy-3-(3,4,5-trichloro-phenyl)-butyryl]-furan-2-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-3b5a54d292f746ee837ed1c191c12d4c
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