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Dimethylformamide → 4-{4-[2-(2,5-Dichloro-phenoxy)-5-fluoro-pyridine-3-carbonyl]-3,4-dihydro-2H-quinoxaline-1-carbonyl}-benzoic acid methyl ester

HRID 166084
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HRID 166084 반응식
[CH2:29]([N:30]([CH:31]([CH3:32])[CH3:33])[CH:34]([CH3:35])[CH3:36])[CH3:37].[CH3:38][O:39][C:40]([c:41]1[cH:42][cH:43][c:44]([C:47](=[O:48])[Cl:49])[cH:45][cH:46]1)=[O:50].[Cl:1][c:2]1[c:3]([O:4][c:5]2[n:6][cH:7][c:8]([F:23])[cH:9][c:10]2[C:11](=[O:12])[N:13]2[CH2:14][CH2:15][NH:16][c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]32)[cH:24][c:25]([Cl:28])[cH:26][cH:27]1.[O:51]=[CH:52][N:53]([CH3:54])[CH3:55]>>[Cl:1][c:2]1[c:3]([O:4][c:5]2[n:6][cH:7][c:8]([F:23])[cH:9][c:10]2[C:11](=[O:12])[N:13]2[CH2:14][CH2:15][N:16]([C:47]([c:44]3[cH:43][cH:42][c:41]([C:40]([O:39][CH3:38])=[O:50])[cH:46][cH:45]3)=[O:48])[c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]32)[cH:24][c:25]([Cl:28])[cH:26][cH:27]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 6228DimethylformamideHCID 81531DiisopropylethylamineHCID 81850Methyl 4-(chlorocarbonyl)benzoateHCID 59294514[2-(2,5-Dichloro-phenoxy)-5-fluoro-pyridin-3-yl]-(3,4-dihydro-2H-quinoxalin-1-yl)-methanone

생성물 1

HCID 673666084-{4-[2-(2,5-Dichloro-phenoxy)-5-fluoro-pyridine-3-carbonyl]-3,4-dihydro-2H-quinoxaline-1-carbonyl}-benzoic acid methyl ester

출처 및 근거

ORD 기록
ord-19bb67839d5e477e83cb14eaa37ce3e3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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