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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Isopropanol → 6-[4-[Cyclopropyl-[7-fluoro-4-[4-(trifluoromethoxy)benzoyl]-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinolin-9-yl]amino]-4-oxobutanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

HRID 286597
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인쇄 미리보기

반응식

HRID 286597 반응식
[CH:1]1([N:4]([C:5]([CH2:6][CH2:7][C:8](=[O:9])[O:10][CH:11]2[CH:12]([OH:29])[CH:13]([OH:28])[CH:14]([OH:27])[CH:15]([C:17](=[O:18])[O:19][CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[O:16]2)=[O:30])[CH:31]2[CH:32]3[CH:33]([N:34]([C:42]([c:43]4[cH:44][cH:45][c:46]([O:49][C:50]([F:51])([F:52])[F:53])[cH:47][cH:48]4)=[O:54])[c:35]4[cH:36][cH:37][c:38]([F:41])[cH:39][c:40]42)[CH2:55][CH2:56][CH2:57]3)[CH2:2][CH2:3]1.[CH:58]1=[CH:63][CH:62]=[CH:61][CH2:60][CH2:59]1.[CH:64]([OH:65])([CH3:66])[CH3:67].[CH:68]1([O:69][CH3:70])[CH2:71][CH2:72][CH2:73][CH2:74]1>>[CH:1]1([N:4]([C:5]([CH2:6][CH2:7][C:8](=[O:9])[O:10][CH:11]2[CH:12]([OH:29])[CH:13]([OH:28])[CH:14]([OH:27])[CH:15]([C:17](=[O:18])[OH:19])[O:16]2)=[O:30])[CH:31]2[CH:32]3[CH:33]([N:34]([C:42]([c:43]4[cH:44][cH:45][c:46]([O:49][C:50]([F:51])([F:52])[F:53])[cH:47][cH:48]4)=[O:54])[c:35]4[cH:36][cH:37][c:38]([F:41])[cH:39][c:40]42)[CH2:55][CH2:56][CH2:57]3)[CH2:2][CH2:3]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 3776IsopropanolHCID 116051,3-CyclohexadieneHCID 138539Cyclopentyl methyl etherHCID 78032140Benzyl 6-[4-[cyclopropyl-[7-fluoro-4-[4-(trifluoromethoxy)benzoyl]-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinolin-9-yl]amino]-4-oxobutanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylate

생성물 1

HCID 71140364
6-[4-[Cyclopropyl-[7-fluoro-4-[4-(trifluoromethoxy)benzoyl]-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinolin-9-yl]amino]-4-oxobutanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

출처 및 근거

ORD 기록
ord-73c539f2c64b4e3bbea7f08638811938
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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