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Bromide ion → 4-(3-Fluorophenyl)-6-methoxy-1-[(1-methyl-1H-1,2,4-triazol-5-yl)methyl]-2-oxo-1,2-dihydroquinoline-3-carbonitrile

HRID 94295
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HRID 94295 반응식
[Br-:26].[CH3:27][S:28]([O:29][CH2:32][c:33]1[n:34][cH:35][n:36][n:37]1[CH3:38])(=[O:30])=[O:31].[CH3:39][O:40][CH2:41][CH2:42][O:43][CH3:44].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[F:1][c:2]1[cH:3][c:4](-[c:8]2[c:9]([C:21]#[N:22])[c:10](=[O:20])[nH:11][c:12]3[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][c:17]23)[cH:5][cH:6][cH:7]1.[H-:23].[Li+:25].[Na+:24]>>[F:1][c:2]1[cH:3][c:4](-[c:8]2[c:9]([C:21]#[N:22])[c:10](=[O:20])[n:11]([CH2:32][c:33]3[n:34][cH:35][n:36][n:37]3[CH3:38])[c:12]3[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][c:17]23)[cH:5][cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 259Bromide ionHCID 923Sodium IonHCID 6228DimethylformamideHCID 80711,2-DimethoxyethaneHCID 28486Lithium CationHCID 166653HydrideHCID 114151654-(3-Fluorophenyl)-6-methoxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile
HCID 86611705
(1-Methyl-1H-1,2,4-triazol-5-yl)methyl methanesulfonate

생성물 1

HCID 112921974-(3-Fluorophenyl)-6-methoxy-1-[(1-methyl-1H-1,2,4-triazol-5-yl)methyl]-2-oxo-1,2-dihydroquinoline-3-carbonitrile

출처 및 근거

ORD 기록
ord-3dae9408b4bc4c4fb8468ae7eb9e94f9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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