Phenacyl bromide → 6-Fluoro-4-[4-(furan-2-carbonyl)-piperazin-1-yl]-2-oxo-1-(2-oxo-2-phenyl-ethyl)-1,2-dihydro-[1,8]-naphthyridine-3-carbonitrile

반응식

[Br:28][CH2:29][C:30](=[O:31])[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[F:1][c:2]1[cH:3][c:4]2[c:5]([N:15]3[CH2:16][CH2:17][N:18]([C:21](=[O:22])[c:23]4[o:24][cH:25][cH:26][cH:27]4)[CH2:19][CH2:20]3)[c:6]([C:13]#[N:14])[c:7](=[O:12])[nH:8][c:9]2[n:10][cH:11]1>>[F:1][c:2]1[cH:3][c:4]2[c:5]([N:15]3[CH2:16][CH2:17][N:18]([C:21](=[O:22])[c:23]4[o:24][cH:25][cH:26][cH:27]4)[CH2:19][CH2:20]3)[c:6]([C:13]#[N:14])[c:7](=[O:12])[n:8]([CH2:29][C:30](=[O:31])[c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)[c:9]2[n:10][cH:11]1

참가 물질

반응물 2

HCID 6259Phenacyl bromide

HCID 692157496-Fluoro-2-oxo-4-[4-(furan-2-carbonyl)-piperazine-1-yl]-1,2-dihydro-[1,8]-naphthyridine-3-carbonitrile

생성물 1

HCID 692172616-Fluoro-4-[4-(furan-2-carbonyl)-piperazin-1-yl]-2-oxo-1-(2-oxo-2-phenyl-ethyl)-1,2-dihydro-[1,8]-naphthyridine-3-carbonitrile

출처 및 근거

ORD 기록: ord-fa24640193d44120ae1e4eebe2e81223
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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