3-Cyano-4-fluorophenylboronic acid → 5-[(4,4-diethyl-1-methyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)amino]-2-fluorobenzonitrile

반응식

[C:18](#[N:19])[c:20]1[cH:21][c:22]([B:27]([OH:28])[OH:29])[cH:23][cH:24][c:25]1[F:26].[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[C:7]([CH2:13][CH3:14])([CH2:15][CH3:16])[O:8][C:9](=[O:12])[N:10]2[CH3:11]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[C:7]([CH2:13][CH3:14])([CH2:15][CH3:16])[O:8][C:9](=[O:12])[N:10]2[CH3:11])[c:22]1[cH:21][c:20]([C:18]#[N:19])[c:25]([F:26])[cH:24][cH:23]1

참가 물질

반응물 2

HCID 27579643-Cyano-4-fluorophenylboronic acid

HCID 692163266-amino-4,4-diethyl-1-methyl-1,4-dihydro-2H-3,1-benzoxazin-2-one

생성물 1

HCID 247586615-[(4,4-diethyl-1-methyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)amino]-2-fluorobenzonitrile

출처 및 근거

ORD 기록: ord-062e1e509b6c4ccd9ec1b99f3b72e0b0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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