4-Bromo-2-fluorobenzonitrile → 4-(4,4-diethyl-1-methyl-2-oxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-6-ylamino)-2-fluorobenzonitrile

반응식

[Br:18][c:19]1[cH:20][c:21]([F:27])[c:22]([C:23]#[N:24])[cH:25][cH:26]1.[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:19]1[cH:20][c:21]([F:27])[c:22]([C:23]#[N:24])[cH:25][cH:26]1

참가 물질

반응물 2

HCID 7360294-Bromo-2-fluorobenzonitrile

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

생성물 1

HCID 444382694-(4,4-diethyl-1-methyl-2-oxo-2,4-dihydro-1H-benzo[d][1,3]oxazin-6-ylamino)-2-fluorobenzonitrile

출처 및 근거

ORD 기록: ord-1f89b23c9e504440a05abe01d6737a04
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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