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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Sodium Ion → 6-[({1-[2-(7-Bromo-2-oxo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-1-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

HRID 2316212
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HRID 2316212 반응식
[C:35]([BH3-:36])#[N:37].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][N:10]2[c:11]3[c:12]([n:17][cH:18][c:19]([Br:21])[cH:20]3)[O:13][CH2:14][C:15]2=[O:16])[CH2:6][CH2:7]1.[Na+:38].[O:22]=[C:23]1[NH:24][c:25]2[c:26]([cH:29][cH:30][c:31]([CH:33]=[O:34])[n:32]2)[O:27][CH2:28]1>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([CH2:8][CH2:9][N:10]2[c:11]3[c:12]([n:17][cH:18][c:19]([Br:21])[cH:20]3)[O:13][CH2:14][C:15]2=[O:16])[CH2:6][CH2:7]1)[CH2:33][c:31]1[cH:30][cH:29][c:26]2[c:25]([n:32]1)[NH:24][C:23](=[O:22])[CH2:28][O:27]2
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참가 물질

5

반응물 4

HCID 923Sodium IonHCID 498716Cyano-borohydrideHCID 218737373-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-6-carbaldehydeHCID 667742821-[2-(4-Aminopiperidin-1-yl)ethyl]-7-bromo-1H-pyrido[2,3-b][1,4]oxazin-2(3H)-one

생성물 1

HCID 667747596-[({1-[2-(7-Bromo-2-oxo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-1-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

출처 및 근거

ORD 기록
ord-ae89f8dfcbd04388ac4d26319319b568
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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