Pyridine → 2,6-dichloro-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}benzenesulfonamide

HRID 103316

반응식

HRID 103316 반응식
[Cl:31][c:32]1[c:33]([S:39](=[O:40])(=[O:41])[Cl:42])[c:34]([Cl:38])[cH:35][cH:36][cH:37]1.[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:43]1[cH:44][cH:45][n:46][cH:47][cH:48]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:39]([c:33]1[c:32]([Cl:31])[cH:37][cH:36][cH:35][c:34]1[Cl:38])(=[O:40])=[O:41]

참가 물질

4

반응물 3

HCID 1049PyridineHCID 5221832,6-DichlorobenzenesulfonylchlorideHCID 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 1363585122,6-dichloro-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}benzenesulfonamide

출처 및 근거

ORD 기록
ord-525b80cb1f754f699fdb9be4abcb2620
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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