2′-Fluoro-5′-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)[1,1′-biphenyl]-2-carbonitrile → 5'-[7-Acetyl-[1,8]naphthyridin-4-yl]-2'-fluorobiphenyl-2-carbonitrile

반응식

[Cl:1][c:2]1[c:3]2[cH:4][cH:5][c:6]([C:12]([CH3:13])=[O:14])[n:7][c:8]2[n:9][cH:10][cH:11]1.[F:15][c:16]1[c:17](-[c:31]2[c:32]([C:37]#[N:38])[cH:33][cH:34][cH:35][cH:36]2)[cH:18][c:19]([B:22]2[O:23][C:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30]2)[cH:20][cH:21]1>>[c:2]1(-[c:19]2[cH:18][c:17](-[c:31]3[c:32]([C:37]#[N:38])[cH:33][cH:34][cH:35][cH:36]3)[c:16]([F:15])[cH:21][cH:20]2)[c:3]2[cH:4][cH:5][c:6]([C:12]([CH3:13])=[O:14])[n:7][c:8]2[n:9][cH:10][cH:11]1

참가 물질

반응물 2

HCID 117716472′-Fluoro-5′-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)[1,1′-biphenyl]-2-carbonitrile

HCID 222853341-(5-chloro-1,8-naphthyridin-2-yl)Ethanone

생성물 1

HCID 99254355'-[7-Acetyl-[1,8]naphthyridin-4-yl]-2'-fluorobiphenyl-2-carbonitrile

출처 및 근거

ORD 기록: ord-3cd117c62bef4998a73b5a3732267c14
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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