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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Pyridine → ethyl 2-(4-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(3-(dimethylamino)prop-1-ynyl)phenylcarbamoyl)-6-cyano-2H-benzo[b][1,4]oxazine-4(3H)-carboxylate

HRID 1235139
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HRID 1235139 반응식
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:20]1)[N:8]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:9][CH:10]([C:12](=[O:13])[OH:14])[O:11]2.[CH3:47][CH:48]1[CH2:49][CH2:50][CH2:51][O:52]1.[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH:21]12[CH2:22][CH2:23][CH:24]([CH2:25][CH2:26]1)[N:27]2[c:28]1[cH:29][c:30]([C:35]#[C:36][CH2:37][N:38]([CH3:39])[CH3:40])[c:31]([NH2:32])[cH:33][cH:34]1.[cH:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:20]1)[N:8]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[CH2:9][CH:10]([C:12](=[O:14])[NH:32][c:31]1[c:30]([C:35]#[C:36][CH2:37][N:38]([CH3:39])[CH3:40])[cH:29][c:28]([N:27]3[CH:21]4[CH2:22][CH2:23][CH:24]3[CH2:25][CH2:26]4)[cH:34][cH:33]1)[O:11]2
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참가 물질

6

반응물 5

HCID 1049PyridineHCID 73012-MethyltetrahydrofuranHCID 8857Ethyl AcetateHCID 575168474-(7-Azabicyclo[2.2.1]heptan-7-yl)-2-(3-(dimethylamino)prop-1-ynyl)anilineHCID 593949876-Cyano-4-ethoxycarbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

생성물 1

HCID 67458399
ethyl 2-(4-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(3-(dimethylamino)prop-1-ynyl)phenylcarbamoyl)-6-cyano-2H-benzo[b][1,4]oxazine-4(3H)-carboxylate

출처 및 근거

ORD 기록
ord-50c0dee95f8142ff9a0d98f086bf393d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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