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Sodium Ion → N-[7-fluoro-3,3-dimethyl-2-(3-morpholin-4-yl-phenyl)-1,2,3,4-tetrahydro-quinoline-5-carbonyl]-methanesulfonamide

HRID 1204204
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HRID 1204204 반응식
[C:36]([n:37]1[cH:38][cH:39][n:40][cH:41]1)([n:42]1[cH:43][cH:44][n:45][cH:46]1)=[O:47].[CH3:3][S:4](=[O:5])(=[O:6])[NH2:7].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[F:8][c:9]1[cH:10][c:11]([C:33](=[O:34])[OH:35])[c:12]2[c:17]([cH:18]1)[NH:16][CH:15]([c:19]1[cH:20][c:21]([N:25]3[CH2:26][CH2:27][O:28][CH2:29][CH2:30]3)[cH:22][cH:23][cH:24]1)[C:14]([CH3:31])([CH3:32])[CH2:13]2.[H-:1].[Na+:2]>>[CH3:3][S:4](=[O:5])(=[O:6])[NH:7][C:33]([c:11]1[cH:10][c:9]([F:8])[cH:18][c:17]2[c:12]1[CH2:13][C:14]([CH3:31])([CH3:32])[CH:15]([c:19]1[cH:20][c:21]([N:25]3[CH2:26][CH2:27][O:28][CH2:29][CH2:30]3)[cH:22][cH:23][cH:24]1)[NH:16]2)=[O:34]
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참가 물질

7

반응물 6

HCID 923Sodium IonHCID 6228DimethylformamideHCID 682631,1'-CarbonyldiimidazoleHCID 72879MethanesulfonamideHCID 166653HydrideHCID 534921807-Fluoro-3,3-dimethyl-2-(3-morpholin-4-yl-phenyl)-1,2,3,4-tetrahydro-quinoline-5-carboxylic acid

생성물 1

HCID 53492248
N-[7-fluoro-3,3-dimethyl-2-(3-morpholin-4-yl-phenyl)-1,2,3,4-tetrahydro-quinoline-5-carbonyl]-methanesulfonamide

출처 및 근거

ORD 기록
ord-3344b28445d84fd096b7e3dab9f6e12a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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