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Sodium Ion → 2-(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[1-[2-fluoro-4'-[(methylsulfonyl)amino]-4-biphenylyl]-2-(4-morpholinyl)ethyl]-N-methylacetamide

HRID 1209844
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HRID 1209844 반응식
[Br:1][c:2]1[c:3]([F:34])[cH:4][c:5]([CH:8]([CH2:9][N:10]2[CH2:11][CH2:12][O:13][CH2:14][CH2:15]2)[N:16]([C:17]([CH2:18][N:19]2[C:20](=[O:31])[CH2:21][O:22][c:23]3[c:24]2[cH:25][c:26]([Cl:30])[c:27]([Cl:29])[cH:28]3)=[O:32])[CH3:33])[cH:6][cH:7]1.[C:49](=[O:50])([O-:51])[O-:52].[CH3:35][S:36](=[O:37])(=[O:38])[NH:39][c:40]1[cH:41][cH:42][c:43]([B:46]([OH:47])[OH:48])[cH:44][cH:45]1.[Na+:53].[Na+:54].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59]>>[c:2]1(-[c:43]2[cH:42][cH:41][c:40]([NH:39][S:36]([CH3:35])(=[O:37])=[O:38])[cH:45][cH:44]2)[c:3]([F:34])[cH:4][c:5]([CH:8]([CH2:9][N:10]2[CH2:11][CH2:12][O:13][CH2:14][CH2:15]2)[N:16]([C:17]([CH2:18][N:19]2[C:20](=[O:31])[CH2:21][O:22][c:23]3[c:24]2[cH:25][c:26]([Cl:30])[c:27]([Cl:29])[cH:28]3)=[O:32])[CH3:33])[cH:6][cH:7]1
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반응물 5

HCID 923Sodium Ion2회HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 2773537(4-Methanesulfonamidophenyl)boronic acidHCID 57489052N-[1-(4-bromo-3-fluorophenyl)-2-(4-morpholinyl)ethyl]-2-(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-methylacetamide

생성물 1

HCID 57489054
2-(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-[1-[2-fluoro-4'-[(methylsulfonyl)amino]-4-biphenylyl]-2-(4-morpholinyl)ethyl]-N-methylacetamide

출처 및 근거

ORD 기록
ord-bb9c447b4201410a8aa88d798ca5b052
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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