Calcium Cation → 5-Fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid

HRID 104527

Reaction equation

HRID 104527 reaction equation
[CH3:1][C:2]1=[C:3]([CH2:4][C:5]([OH:6])=[O:7])[c:8]2[cH:9][c:10]([F:11])[cH:12][cH:13][c:14]2[C:15]1=[CH:16][c:17]1[cH:18][cH:19][c:20]([S:23]([CH3:24])=[O:25])[cH:21][cH:22]1.[CH3:29][CH2:30][OH:31].[Ca+2:27].[OH-:26].[OH-:28]>>[CH3:1][C:2]1=[C:3]([CH2:4][C:5](=[O:6])[OH:7])[c:8]2[cH:9][c:10]([F:11])[cH:12][cH:13][c:14]2[C:15]1=[CH:16][c:17]1[cH:18][cH:19][c:20]([S:23]([CH3:24])=[O:25])[cH:21][cH:22]1.[Ca:27]

Participants

6

Reactant 4

HCID 271Calcium CationHCID 702EthanolHCID 961Hydroxide2×HCID 53525-Fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid

Product 2

HCID 53525-Fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acidHCID 5460341Calcium

Sources & evidence

ORD record
ord-f3af0126af154bc4b16e7354991242fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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