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Potassium Cation → N-[5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

HRID 173478
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HRID 173478 반응식
[C:36](=[O:37])([O-:38])[O-:39].[Cl:42][CH2:43][Cl:44].[F:23][C:24]([c:25]1[n:26][nH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:34])[F:35].[K+:40].[K+:41].[OH:1][CH2:2][c:3]1[cH:4][c:5]2[c:9]([cH:10][cH:11]1)[CH2:8][CH:7]([NH:12][S:13](=[O:14])(=[O:15])[CH:16]([CH3:17])[CH3:18])[CH2:6]2.[S:19]([Cl:20])([Cl:21])=[O:22]>>[CH2:2]([c:3]1[cH:4][c:5]2[c:9]([cH:10][cH:11]1)[CH2:8][CH:7]([NH:12][S:13](=[O:14])(=[O:15])[CH:16]([CH3:17])[CH3:18])[CH2:6]2)[n:26]1[c:25]([C:24]([F:23])([F:34])[F:35])[cH:29][c:28]([C:30]([F:31])([F:32])[F:33])[n:27]1
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반응물 6

HCID 813Potassium Cation2회HCID 6344DichloromethaneHCID 19660Carbonate IonHCID 24386Thionyl ChlorideHCID 5189913,5-Bis(trifluoromethyl)pyrazoleHCID 67025425N-[5-(hydroxymethyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

생성물 1

HCID 75037487
N-[5-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

출처 및 근거

ORD 기록
ord-540f744ed7ba469b8096bafc5826e629
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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