Hydrochloric Acid → Hydrochloric Acid

HRID 102746노트

반응식

HRID 102746 반응식
[Br:1][c:2]1[cH:3][c:4]([CH:9]2[C:10]3=[C:11]([NH:12][C:13]4=[C:18]2[C:17](=[O:19])[CH2:16][N:15]([C:20]([O:21][CH:22]=[CH2:23])=[O:24])[CH2:14]4)[CH2:25][CH2:26][CH2:27][S:28]3(=[O:29])=[O:30])[cH:5][cH:6][c:7]1[F:8].[CH2:32]([OH:33])[CH3:34].[ClH:31]>>[Br:1][c:2]1[cH:3][c:4]([CH:9]2[C:10]3=[C:11]([NH:12][C:13]4=[C:18]2[C:17](=[O:19])[CH2:16][NH:15][CH2:14]4)[CH2:25][CH2:26][CH2:27][S:28]3(=[O:29])=[O:30])[cH:5][cH:6][c:7]1[F:8].[ClH:31]

참가 물질

5

반응물 3

HCID 313Hydrochloric AcidHCID 702EthanolHCID 11179488vinyl 10-(3-bromo-4-fluorophenyl)-9-oxo-3,4,6,8,9,10-hexahydro-2H-thiopyrano[3,2-b][1,7]naphthyridine-7(5H)-carboxylate 1,1-dioxide

생성물 2

HCID 313Hydrochloric AcidHCID 1027409410-(3-Bromo-4-fluorophenyl)-1,1-dioxo-2,3,4,5,6,7,8,10-octahydrothiopyrano[3,2-b][1,7]naphthyridin-9-one

출처 및 근거

ORD 기록
ord-9c243f1aed034da08712031f65c3b08b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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