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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Hydrochloric Acid → 4-[5-bromo-6-oxo-4-[(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)amino]pyridazin-1-yl]-N-(pyridin-4-ylmethyl)butanamide

HRID 180089
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인쇄 미리보기

반응식

HRID 180089 반응식
[Br:1][c:2]1[c:3]([NH:15][CH:16]2[CH:17]([CH3:25])[CH:18]3[C:19]([CH3:23])([CH3:24])[CH:20]([CH2:21]2)[CH2:22]3)[cH:4][n:5][n:6]([CH2:9][CH2:10][CH2:11][C:12](=[O:13])[OH:14])[c:7]1=[O:8].[CH3:27][N:28]([CH3:29])[CH2:30][CH2:31][CH2:32][N:33]=[C:34]=[N:35][CH2:36][CH3:37].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[ClH:26].[cH:45]1[cH:46][c:47]([CH2:51][NH2:52])[cH:48][cH:49][n:50]1>>[Br:1][c:2]1[c:3]([NH:15][CH:16]2[CH:17]([CH3:25])[CH:18]3[C:19]([CH3:23])([CH3:24])[CH:20]([CH2:21]2)[CH2:22]3)[cH:4][n:5][n:6]([CH2:9][CH2:10][CH2:11][C:12](=[O:13])[NH:52][CH2:51][c:47]2[cH:46][cH:45][n:50][cH:49][cH:48]2)[c:7]1=[O:8]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 773174-PyridinemethanamineHCID 178430034HCID 178430034, 화합물

생성물 1

HCID 1784300334-[5-bromo-6-oxo-4-[(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)amino]pyridazin-1-yl]-N-(pyridin-4-ylmethyl)butanamide

출처 및 근거

ORD 기록
ord-8caa88db4e8d461995ceedbfb0922ba3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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