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

HRID 104527
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반응식

HRID 104527 반응식
[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]
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반응물 4

HCID 271Calcium CationHCID 702EthanolHCID 961Hydroxide2회HCID 53525-Fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid

생성물 2

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

출처 및 근거

ORD 기록
ord-f3af0126af154bc4b16e7354991242fe
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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