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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Sodium Ion → 1-{3-[(4-{[5-Chloro-7-(3-methoxyprop-1-yn-1-yl)-1,3-benzodioxol-4-yl]amino}-6-methoxyquinazolin-7-yl)oxy]propyl}-4-methylpiperazin-2-one

HRID 126215
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HRID 126215 반응식
[CH3:42][Si:43]([N-:44][Si:45]([CH3:46])([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:1][c:2]1[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH2:15][CH2:16][CH2:17][N:18]3[C:19](=[O:25])[CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[c:9]([O:12][CH3:13])[cH:10][c:11]12.[Cl:26][c:27]1[c:28]([NH2:41])[c:29]2[c:30]([c:34]([C:36]#[C:37][CH2:38][O:39][CH3:40])[cH:35]1)[O:31][CH2:32][O:33]2.[Na+:51].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56]>>[c:2]1([NH:41][c:28]2[c:27]([Cl:26])[cH:35][c:34]([C:36]#[C:37][CH2:38][O:39][CH3:40])[c:30]3[c:29]2[O:33][CH2:32][O:31]3)[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH2:15][CH2:16][CH2:17][N:18]3[C:19](=[O:25])[CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[c:9]([O:12][CH3:13])[cH:10][c:11]12
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 923Sodium IonHCID 6228DimethylformamideHCID 3280088Npc316347HCID 210827165-Chloro-7-(3-methoxyprop-1-ynyl)-1,3-benzodioxol-4-amineHCID 866015631-{3-[(4-Chloro-6-methoxyquinazolin-7-yl)oxy]propyl}-4-methylpiperazin-2-one

생성물 1

HCID 68881743
1-{3-[(4-{[5-Chloro-7-(3-methoxyprop-1-yn-1-yl)-1,3-benzodioxol-4-yl]amino}-6-methoxyquinazolin-7-yl)oxy]propyl}-4-methylpiperazin-2-one

출처 및 근거

ORD 기록
ord-e897d82c07b84060b592a8c780d7ed0e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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