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Pyridine → N-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}-4-(methylsulfonyl)benzenesulfonamide

HRID 302745
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HRID 302745 반응식
[CH3:31][S:32](=[O:33])(=[O:34])[c:35]1[cH:36][cH:37][c:38]([S:41](=[O:42])(=[O:43])[Cl:44])[cH:39][cH:40]1.[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[NH2:1][c:2]1[cH:3][c:4]2[c:5]([cH:29][cH:30]1)[NH:6][C:7]([c:12]1[c:13](=[O:28])[n:14]([CH2:23][CH2:24][CH:25]([CH3:26])[CH3:27])[c:15]3[n:16][cH:17][cH:18][cH:19][c:20]3[c:21]1[OH:22])=[N:8][S:9]2(=[O:10])=[O:11].[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([cH:29][cH:30]1)[NH:6][C:7]([c:12]1[c:13](=[O:28])[n:14]([CH2:23][CH2:24][CH:25]([CH3:26])[CH3:27])[c:15]3[n:16][cH:17][cH:18][cH:19][c:20]3[c:21]1[OH:22])=[N:8][S:9]2(=[O:10])=[O:11])[S:41]([c:38]1[cH:37][cH:36][c:35]([S:32]([CH3:31])(=[O:33])=[O:34])[cH:40][cH:39]1)(=[O:42])=[O:43]
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5

반응물 4

HCID 1049PyridineHCID 8857Ethyl AcetateHCID 27351824-Methanesulfonylbenzene-1-sulfonyl chlorideHCID 1354307103-(7-Amino-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)-1,8-naphthyridin-2(1H)-one

생성물 1

HCID 136358507N-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}-4-(methylsulfonyl)benzenesulfonamide

출처 및 근거

ORD 기록
ord-d6d7a7cfe9684bcab6f9c1105013726a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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