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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Potassium Cation → [(3-{1-[(cyclopropylmethyl)amino]-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl}-8-nitro-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl)oxy]acetonitrile

HRID 1231475
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HRID 1231475 반응식
[Br:34][CH2:35][C:36]#[N:37].[C:38](=[O:39])([O-:40])[O-:41].[CH2:50]([N+:51]([CH2:52][CH2:53][CH2:54][CH3:55])([CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH2:61][CH2:62][CH3:63])[CH2:64][CH2:65][CH3:66].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[CH:1]1([CH2:4][NH:5][n:6]2[c:7](=[O:33])[c:8]([C:17]3=[N:18][S:19](=[O:31])(=[O:32])[c:20]4[c:21]([cH:23][cH:24][c:25]([OH:30])[c:26]4[N+:27](=[O:28])[O-:29])[NH:22]3)[c:9]([OH:16])[c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]23)[CH2:2][CH2:3]1.[I-:49].[K+:42].[K+:43]>>[CH:1]1([CH2:4][NH:5][n:6]2[c:7](=[O:33])[c:8]([C:17]3=[N:18][S:19](=[O:31])(=[O:32])[c:20]4[c:21]([cH:23][cH:24][c:25]([O:30][CH2:35][C:36]#[N:37])[c:26]4[N+:27](=[O:28])[O-:29])[NH:22]3)[c:9]([OH:16])[c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]23)[CH2:2][CH2:3]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium Cation2회HCID 6228DimethylformamideHCID 11534BromoacetonitrileHCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 30165Iodide IonHCID 1363584201-[(cyclopropylmethyl)amino]-4-hydroxy-3-(7-hydroxy-8-nitro-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)quinolin-2(1H)-one

생성물 1

HCID 136358422[(3-{1-[(cyclopropylmethyl)amino]-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl}-8-nitro-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl)oxy]acetonitrile

출처 및 근거

ORD 기록
ord-4aa6a88c3e224211a3bf5360604f79ab
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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