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Methanol → N-[3-(7-fluoro-1-hydroxy-3-oxo-4,4-dipropyl-3,4-dihydronaphthalen-2-yl)-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]sulfamide

HRID 1146281
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HRID 1146281 반응식
[C:47]([O:48][CH2:49][CH3:50])(=[O:51])[CH3:52].[CH3:53][OH:54].[F:1][c:2]1[cH:3][cH:4][c:5]2[c:10]([cH:11]1)[C:9]([OH:12])=[C:8]([C:13]1=[N:14][S:15](=[O:38])(=[O:39])[c:16]3[c:17]([cH:19][cH:20][c:21]([NH:23][S:24](=[O:25])(=[O:26])[NH:27][C:28](=[O:29])[O:30][CH2:31][c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[cH:22]3)[NH:18]1)[C:7](=[O:40])[C:6]2([CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH3:46]>>[F:1][c:2]1[cH:3][cH:4][c:5]2[c:10]([cH:11]1)[C:9]([OH:12])=[C:8]([C:13]1=[N:14][S:15](=[O:38])(=[O:39])[c:16]3[c:17]([cH:19][cH:20][c:21]([NH:23][S:24](=[O:25])(=[O:26])[NH2:27])[cH:22]3)[NH:18]1)[C:7](=[O:40])[C:6]2([CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH3:46]
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참가 물질

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반응물 3

HCID 887MethanolHCID 8857Ethyl AcetateHCID 136375602Benzyl {[3-(7-fluoro-1-hydroxy-3-oxo-4,4-dipropyl-3,4-dihydronaphthalen-2-yl)-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]amino}sulfonylcarbamate

생성물 1

HCID 136337523N-[3-(7-fluoro-1-hydroxy-3-oxo-4,4-dipropyl-3,4-dihydronaphthalen-2-yl)-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl]sulfamide

출처 및 근거

ORD 기록
ord-8480b4ad761744058a13cc4f5bd1f6ee
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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