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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Dimethylamine → N-(4-Fluorobenzyl)-3-hydroxy-10-(methyl((5-methyl-3-isoxazolyl)carbonyl)amino)-4-oxo-4,6,7,8,9,10-hexahydro-7,10-ethanopyrimido[1,2-a]azepine-2-carboxamide

HRID 2147591
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HRID 2147591 반응식
[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:36][c:37]1[cH:38][c:39]([C:42](=[O:43])[Cl:44])[n:40][o:41]1.[CH3:45][NH:46][CH3:47].[CH3:51][OH:52].[Cl:48][CH2:49][Cl:50].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[n:11][c:12]3[n:13]([c:23](=[O:26])[c:24]2[OH:25])[CH2:14][CH:15]2[CH2:16][CH2:17][C:18]3([NH:21][CH3:22])[CH2:19][CH2:20]2)[cH:27][cH:28]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:8](=[O:9])[c:10]2[n:11][c:12]3[n:13]([c:23](=[O:26])[c:24]2[OH:25])[CH2:14][CH:15]2[CH2:16][CH2:17][C:18]3([N:21]([CH3:22])[C:42]([c:39]3[cH:38][c:37]([CH3:36])[o:41][n:40]3)=[O:43])[CH2:19][CH2:20]2)[cH:27][cH:28]1
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반응물 6

HCID 674DimethylamineHCID 887MethanolHCID 6344DichloromethaneHCID 8471TriethylamineHCID 27368945-Methylisoxazole-3-carbonyl chlorideHCID 57904894N-(4-Fluorobenzyl)-3-hydroxy-10-(methylamino)-4-oxo-4,6,7,8,9,10-hexahydro-7,10-ethanopyrimido[1,2-a]azepine-2-carboxamide

생성물 1

HCID 57905226
N-(4-Fluorobenzyl)-3-hydroxy-10-(methyl((5-methyl-3-isoxazolyl)carbonyl)amino)-4-oxo-4,6,7,8,9,10-hexahydro-7,10-ethanopyrimido[1,2-a]azepine-2-carboxamide

출처 및 근거

ORD 기록
ord-304401a2f9e840e7a3770f566f655aa6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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