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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Acetate → 2-(5-(5-Fluoropyridin-2-ylamino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2(1H)-yl)benzyl Acetate

HRID 140956
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HRID 140956 반응식
[Br:35][c:36]1[cH:37][c:38]([NH:44][c:45]2[n:46][cH:47][c:48]([F:51])[cH:49][cH:50]2)[c:39](=[O:43])[n:40]([CH3:42])[cH:41]1.[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[c:7]([N:21]2[C:22](=[O:34])[c:23]3[n:24]([c:25]4[c:30]([cH:31]3)[CH2:29][CH2:28][CH2:27][CH2:26]4)[CH2:32][CH2:33]2)[cH:8][cH:9][cH:10][c:11]1[B:12]1[O:13][C:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[O:20]1.[C:52]([O-:53])(=[O:54])[CH3:55].[CH3:57][C:58]#[N:59].[Na+:56]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[c:7]([N:21]2[C:22](=[O:34])[c:23]3[n:24]([c:25]4[c:30]([cH:31]3)[CH2:29][CH2:28][CH2:27][CH2:26]4)[CH2:32][CH2:33]2)[cH:8][cH:9][cH:10][c:11]1-[c:36]1[cH:37][c:38]([NH:44][c:45]2[n:46][cH:47][c:48]([F:51])[cH:49][cH:50]2)[c:39](=[O:43])[n:40]([CH3:42])[cH:41]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 175AcetateHCID 923Sodium IonHCID 6342AcetonitrileHCID 580438772-(2-(Acetoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1(2H)-oneHCID 580442815-Bromo-3-(5-fluoropyridin-2-ylamino)-1-methylpyridin-2(1H)-one

생성물 1

HCID 68096595
2-(5-(5-Fluoropyridin-2-ylamino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2(1H)-yl)benzyl Acetate

출처 및 근거

ORD 기록
ord-7c9b8c224cec4466a5b953e429cca5b7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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