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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Ethanol → 4-Oxo-N-((4'-((((5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)sulfonyl)methyl)biphenyl-3-yl)methyl)-3,4-dihydroquinazoline-2-carboxamide

HRID 213210
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HRID 213210 반응식
[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:49][CH2:50][OH:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[NH2:1][CH2:2][c:3]1[cH:4][c:5](-[c:9]2[cH:10][cH:11][c:12]([CH2:15][S:16](=[O:17])(=[O:18])[CH2:19][c:20]3[nH:21][c:22](=[O:25])[nH:23][n:24]3)[cH:13][cH:14]2)[cH:6][cH:7][cH:8]1.[O:26]=[c:27]1[nH:28][c:29]([C:37](=[O:38])[O:39][CH2:40][CH3:41])[n:30][c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]12>>[NH:1]([CH2:2][c:3]1[cH:4][c:5](-[c:9]2[cH:10][cH:11][c:12]([CH2:15][S:16](=[O:17])(=[O:18])[CH2:19][c:20]3[nH:21][c:22](=[O:25])[nH:23][n:24]3)[cH:13][cH:14]2)[cH:6][cH:7][cH:8]1)[C:37]([c:29]1[nH:28][c:27](=[O:26])[c:36]2[c:31]([n:30]1)[cH:32][cH:33][cH:34][cH:35]2)=[O:38]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 702EthanolHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 135437466Ethyl 4-oxo-3,4-dihydroquinazoline-2-carboxylateHCID 1360544705-[({[3'-(aminomethyl)biphenyl-4-yl]methyl}sulfonyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

생성물 1

HCID 136054487
4-Oxo-N-((4'-((((5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)sulfonyl)methyl)biphenyl-3-yl)methyl)-3,4-dihydroquinazoline-2-carboxamide

출처 및 근거

ORD 기록
ord-4be07f9c06cc4bf0bff3dfc3185ba007
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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