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Bicarbonate Ion → 1-[3-Fluoro-4-(methylsulfonyl)phenyl]-5-[4-(3-furyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole

HRID 1569032
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인쇄 미리보기

반응식

HRID 1569032 반응식
[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([C:24]([F:25])([F:26])[F:27])[n:11][n:12]2-[c:13]2[cH:14][c:15]([F:23])[c:16]([S:19](=[O:20])(=[O:21])[CH3:22])[cH:17][cH:18]2)[cH:6][cH:7]1.[CH3:41][O:42][CH2:43][CH2:44][O:45][CH3:46].[Na+:40].[O-:36][C:37]([OH:38])=[O:39].[o:28]1[cH:29][c:30]([B:33]([OH:34])[OH:35])[cH:31][cH:32]1>>[c:2]1(-[c:30]2[cH:29][o:28][cH:32][cH:31]2)[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([C:24]([F:25])([F:26])[F:27])[n:11][n:12]2-[c:13]2[cH:14][c:15]([F:23])[c:16]([S:19](=[O:20])(=[O:21])[CH3:22])[cH:17][cH:18]2)[cH:6][cH:7]1
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반응물 5

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 80711,2-DimethoxyethaneHCID 2734358Furan-3-boronic acidHCID 223167185-(4-bromophenyl)-1-[3-fluoro-4-(methylsulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole

생성물 1

HCID 223168561-[3-Fluoro-4-(methylsulfonyl)phenyl]-5-[4-(3-furyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole

출처 및 근거

ORD 기록
ord-3b8458b0087b4ef88bb9d25d5b738d7e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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