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

HRID 672101
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HRID 672101 반응식
[C:40](=[O:41])([O-:42])[O-:43].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[c:18]3[cH:19][cH:20][c:21]([NH2:24])[n:22][cH:23]3)[cH:13][cH:14]2)[O:25]1.[CH3:46][O:47][CH2:48][CH2:49][O:50][CH3:51].[Cl:26][c:27]1[n:28][cH:29][c:30]([C:33]([C:34]([F:35])([F:36])[F:37])([CH3:38])[OH:39])[cH:31][n:32]1.[Cs+:44].[Cs+:45].[OH2:52]>>[c:9]1(-[c:27]2[n:28][cH:29][c:30]([C:33]([C:34]([F:35])([F:36])[F:37])([CH3:38])[OH:39])[cH:31][n:32]2)[cH:10][cH:11][c:12]([S:15](=[O:16])(=[O:17])[c:18]2[cH:19][cH:20][c:21]([NH2:24])[n:22][cH:23]2)[cH:13][cH:14]1
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참가 물질

7

반응물 6

HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 104967Cesium cation2회HCID 665829285-((4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)sulfonyl)-2-pyridinamineHCID 866703602-(2-Chloropyrimidin-5-yl)-1,1,1-trifluoropropan-2-ol

생성물 1

HCID 66582447
2-(2-(4-((6-Amino-3-pyridinyl)sulfonyl)phenyl)-5-pyrimidinyl)-1,1,1-trifluoro-2-propanol

출처 및 근거

ORD 기록
ord-5a0b72a843d849d0b0ada489bbcd58ba
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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