Tetrahydrofuran → vinyl 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

HRID 675772노트

반응식

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][C:10](=[O:32])[C:11]2=[C:16]([NH:15][C:14]3=[C:13]([CH:12]2[c:24]2[cH:25][c:26]([Br:31])[c:27]([F:30])[cH:28][cH:29]2)[S:21](=[O:22])(=[O:23])[CH2:20][CH2:19][CH2:18]3)[CH2:17]1.[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[Cl:33][C:34](=[O:35])[O:36][CH:37]=[CH2:38]>>[N:8]1([C:34](=[O:35])[O:36][CH:37]=[CH2:38])[CH2:9][C:10](=[O:32])[C:11]2=[C:16]([NH:15][C:14]3=[C:13]([CH:12]2[c:24]2[cH:25][c:26]([Br:31])[c:27]([F:30])[cH:28][cH:29]2)[S:21](=[O:22])(=[O:23])[CH2:20][CH2:19][CH2:18]3)[CH2:17]1

참가 물질

반응물 3

HCID 8028Tetrahydrofuran

HCID 78808Vinyl chloroformate

HCID 114097537-benzyl-10-(3-bromo-4-fluorophenyl)-3,4,6,7,8,10-hexahydro-2H-thiopyrano[3,2-b][1,7]naphthyridin-9(5H)-one 1,1-dioxide

생성물 1

HCID 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

출처 및 근거

ORD 기록: ord-11b1f9d06b284781a9ec5026c12910ce
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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