Fluorobenzene → Tert-butyl (4'-fluoro-3-nitro-[1,1'-biphenyl]-4-YL)carbamate

반응식

[BH:19]([OH:20])[OH:21].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([N+:15](=[O:16])[O-:17])[cH:10][c:11]([I:14])[cH:12][cH:13]1)=[O:18].[F:22][c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([N+:15](=[O:16])[O-:17])[cH:10][c:11](-[c:26]2[cH:25][cH:24][c:23]([F:22])[cH:28][cH:27]2)[cH:12][cH:13]1)=[O:18]

참가 물질

반응물 3

HCID 10008Fluorobenzene

HCID 61668Boronic Acid

HCID 23554339Tert-butyl (4-iodo-2-nitrophenyl)carbamate

생성물 1

HCID 69592758Tert-butyl (4'-fluoro-3-nitro-[1,1'-biphenyl]-4-YL)carbamate

출처 및 근거

ORD 기록: ord-eeb4e1da7a1440be93147d50ff09b4c1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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