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Sodium Ion → 2-Chloro-4-[5-fluoro-4-(1-hydroxy-ethyl)-pyridin-3-yl]-benzonitrile

HRID 1215018
노트
인쇄 미리보기

반응식

HRID 1215018 반응식
[Br:19][c:20]1[cH:21][n:22][cH:23][c:24]([F:29])[c:25]1[CH:26]([CH3:27])[OH:28].[C:33](=[O:34])([O-:35])[O-:36].[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][c:8]([B:10]2[O:11][C:12]([CH3:13])([CH3:14])[C:15]([CH3:16])([CH3:17])[O:18]2)[cH:9]1.[Cl:30][CH2:31][Cl:32].[Na+:37].[Na+:38].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43]>>[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][c:8](-[c:20]2[cH:21][n:22][cH:23][c:24]([F:29])[c:25]2[CH:26]([CH3:27])[OH:28])[cH:9]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 923Sodium Ion2회HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 579261132-Chloro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrileHCID 699379091-(3-Bromo-5-Fluoro-pyridin-4-yl)-ethanol

생성물 1

HCID 710875962-Chloro-4-[5-fluoro-4-(1-hydroxy-ethyl)-pyridin-3-yl]-benzonitrile

출처 및 근거

ORD 기록
ord-765c912c49654ef8b0af29b306ac2787
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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