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Water → 2-(2-(4-((6-Amino-3-pyridinyl)sulfonyl)-2-methylphenyl)-5-pyrimidinyl)-1,1,1,3,3,3-hexafluoro-2-propanol

HRID 832726
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HRID 832726 반응식
[C:44](=[O:45])([O-:46])[O-:47].[CH3:1][c:2]1[cH:3][c:4]([S:17](=[O:18])(=[O:19])[c:20]2[cH:21][cH:22][c:23]([NH2:26])[n:24][cH:25]2)[cH:5][cH:6][c:7]1[B:8]1[O:9][C:10]([CH3:11])([CH3:12])[C:13]([CH3:14])([CH3:15])[O:16]1.[CH3:50][O:51][CH2:52][CH2:53][O:54][CH3:55].[Cl:27][c:28]1[n:29][cH:30][c:31]([C:34]([C:35]([F:36])([F:37])[F:38])([C:39]([F:40])([F:41])[F:42])[OH:43])[cH:32][n:33]1.[Cs+:48].[Cs+:49].[OH2:56]>>[CH3:1][c:2]1[cH:3][c:4]([S:17](=[O:18])(=[O:19])[c:20]2[cH:21][cH:22][c:23]([NH2:26])[n:24][cH:25]2)[cH:5][cH:6][c:7]1-[c:28]1[n:29][cH:30][c:31]([C:34]([C:35]([F:36])([F:37])[F:38])([C:39]([F:40])([F:41])[F:42])[OH:43])[cH:32][n:33]1
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참가 물질

7

반응물 6

HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 665834615-((3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)sulfonyl)-2-pyridinamineHCID 866703482-(2-Chloropyrimidin-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

생성물 1

HCID 86670440
2-(2-(4-((6-Amino-3-pyridinyl)sulfonyl)-2-methylphenyl)-5-pyrimidinyl)-1,1,1,3,3,3-hexafluoro-2-propanol

출처 및 근거

ORD 기록
ord-baf96643607547b28052c61710bd74bb
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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