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Potassium Cation → (+/-)-[5-Fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl 4-methylbenzenesulfonate

HRID 179976
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반응식

HRID 179976 반응식
[C:34](=[O:35])([O-:36])[O-:37].[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[O:11][CH2:12][CH:13]2[O:14][c:15]3[c:16]([cH:18][c:19]([F:23])[cH:20][c:21]3[Br:22])[CH2:17]2)[cH:6][cH:7]1.[CH3:24][c:25]1[c:26]([B:31]([OH:32])[OH:33])[cH:27][cH:28][cH:29][cH:30]1.[K+:38].[K+:39]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[O:11][CH2:12][CH:13]2[O:14][c:15]3[c:16]([cH:18][c:19]([F:23])[cH:20][c:21]3-[c:26]3[c:25]([CH3:24])[cH:30][cH:29][cH:28][cH:27]3)[CH2:17]2)[cH:6][cH:7]1
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참가 물질

5

반응물 4

HCID 813Potassium Cation2회HCID 19660Carbonate IonHCID 27332672-Methylphenyl boronic acidHCID 86599113(+/-)-(7-Bromo-5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl 4-methylbenzenesulfonate

생성물 1

HCID 86599115(+/-)-[5-Fluoro-7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl 4-methylbenzenesulfonate

출처 및 근거

ORD 기록
ord-a6027948a3314d5a98b4ae3d94f28479
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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