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

HRID 148125
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HRID 148125 반응식
[CH3:47][c:48]1[cH:49][c:50]([C:53](=[O:54])[Cl:55])[n:51][o:52]1.[CH3:56][NH:57][CH3:58].[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46].[Cl:59][CH2:60][Cl:61].[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:32](=[O:35])[c:33]2[OH:34])[CH2:14][CH:15]2[CH2:16][CH2:17][C:18]3([NH:21][C:22]([C:23]([N:24]3[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]3)=[O:30])=[O:31])[CH2:19][CH2:20]2)[cH:36][cH:37]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:32](=[O:35])[c:33]2[OH:34])[CH2:14][CH:15]2[CH2:16][CH2:17][C:18]3([NH:21][C:22]([C:23]([N:24]3[CH2:25][CH2:26][N:27]([C:53]([c:50]4[cH:49][c:48]([CH3:47])[o:52][n:51]4)=[O:54])[CH2:28][CH2:29]3)=[O:30])=[O:31])[CH2:19][CH2:20]2)[cH:36][cH:37]1
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반응물 5

HCID 674DimethylamineHCID 6344DichloromethaneHCID 81531DiisopropylethylamineHCID 27368945-Methylisoxazole-3-carbonyl chlorideHCID 57904939N-(4-Fluorobenzyl)-3-hydroxy-4-oxo-10-((oxo(1-piperazinyl)acetyl)amino)-4,6,7,8,9,10-hexahydro-7,10-ethanopyrimido[1,2-a]azepine-2-carboxamide

생성물 1

HCID 57904893
N-(4-Fluorobenzyl)-3-hydroxy-10-(((4-((5-methyl-3-isoxazolyl)carbonyl)-1-piperazinyl)(oxo)acetyl)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-ab59bfbe82ae4492b7fa52e8e1ea80ab
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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