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Potassium Cation → 5'-Acetyl-2'-fluorobiphenyl-2-carbonitrile

HRID 85900
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HRID 85900 반응식
[C:31]([P:32]([C:33]([CH3:34])([CH3:35])[CH3:36])[C:37]([CH3:38])([CH3:39])[CH3:40])([CH3:41])([CH3:42])[CH3:43].[CH3:12][C:13]1([CH3:14])[C:15]([CH3:16])([CH3:17])[O:18][B:19]([c:20]2[c:21]([C:22]#[N:23])[cH:24][cH:25][cH:26][cH:27]2)[O:28]1.[Cl:1][c:2]1[cH:3][c:4]([C:9]([CH3:10])=[O:11])[cH:5][cH:6][c:7]1[F:8].[F-:29].[K+:30].[Na+:45].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH-:44]>>[c:2]1(-[c:20]2[c:21]([C:22]#[N:23])[cH:24][cH:25][cH:26][cH:27]2)[cH:3][c:4]([C:9]([CH3:10])=[O:11])[cH:5][cH:6][c:7]1[F:8]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 813Potassium CationHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 28179Fluoride IonHCID 83681Tris(1,1-dimethylethyl)phosphineHCID 5204223'-Chloro-4'-fluoroacetophenoneHCID 35702292-(2-Cyanophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

출처 및 근거

ORD 기록
ord-8f76b8653060455abae5678930784b49
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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생성물 1

HCID 222736025'-Acetyl-2'-fluorobiphenyl-2-carbonitrile