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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Acetic Acid → 1-(2-(4-((3-oxo-3,4-dihydro-2H-pyrido(3,2-b)(1,4)oxazin-6-yl)methylamino)piperidin-1-yl)ethyl)-7-methoxy-1,5-naphthyridin-2(1H)-one

HRID 1569364
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HRID 1569364 반응식
[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[C:50](=[O:51])([O-:52])[OH:53].[CH3:59][OH:60].[CH3:61][C:62](=[O:63])[OH:64].[CH:55]([Cl:56])([Cl:57])[Cl:58].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][n:10]2[c:11](=[O:22])[cH:12][cH:13][c:14]3[n:15][cH:16][c:17]([O:20][CH3:21])[cH:18][c:19]23)[CH2:6][CH2:7]1.[Na+:49].[Na+:54].[O:23]=[C:24]1[NH:25][c:26]2[c:27]([cH:30][cH:31][c:32]([CH:34]=[O:35])[n:33]2)[O:28][CH2:29]1>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][n:10]2[c:11](=[O:22])[cH:12][cH:13][c:14]3[n:15][cH:16][c:17]([O:20][CH3:21])[cH:18][c:19]23)[CH2:6][CH2:7]1)[CH2:34][c:32]1[cH:31][cH:30][c:27]2[c:26]([n:33]1)[NH:25][C:24](=[O:23])[CH2:29][O:28]2
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium Ion2회HCID 6212ChloroformHCID 2724942TriacetoxyborohydrideHCID 218737373-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehyde
HCID 57815188
1-(2-(4-aminopiperidin-1-yl)ethyl)-7-methoxy-1,5-naphthyridin-2(1H)-one

생성물 1

HCID 250320771-(2-(4-((3-oxo-3,4-dihydro-2H-pyrido(3,2-b)(1,4)oxazin-6-yl)methylamino)piperidin-1-yl)ethyl)-7-methoxy-1,5-naphthyridin-2(1H)-one

출처 및 근거

ORD 기록
ord-f74dc4ddc29e48fca1773645be689e04
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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