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Sodium Ion → Tert-butyl 4-((2-(5-cyanopyrazin-2-ylamino)-5-nitropyridin-4-ylamino)methyl)piperidine-1-carboxylate

HRID 669476
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HRID 669476 반응식
[Br:16][c:17]1[n:18][cH:19][c:20]([N+:38](=[O:39])[O-:40])[c:21]([NH:23][CH2:24][CH:25]2[CH2:26][CH2:27][N:28]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:29][CH2:30]2)[cH:22]1.[CH3:10][C:11]([CH3:12])([O-:13])[CH3:14].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[NH2:1][c:2]1[n:3][cH:4][c:5]([C:8]#[N:9])[n:6][cH:7]1.[Na+:15].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[NH:1]([c:2]1[n:3][cH:4][c:5]([C:8]#[N:9])[n:6][cH:7]1)[c:17]1[n:18][cH:19][c:20]([N+:38](=[O:39])[O-:40])[c:21]([NH:23][CH2:24][CH:25]2[CH2:26][CH2:27][N:28]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:29][CH2:30]2)[cH:22]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 923Sodium IonHCID 1140TolueneHCID 6228DimethylformamideHCID 45749132-Methylpropan-2-olateHCID 139252945-Aminopyrazine-2-carbonitrileHCID 59613428Tert-butyl 4-((2-bromo-5-nitropyridin-4-ylamino)methyl)piperidine-1-carboxylate

생성물 1

HCID 66746238
Tert-butyl 4-((2-(5-cyanopyrazin-2-ylamino)-5-nitropyridin-4-ylamino)methyl)piperidine-1-carboxylate

출처 및 근거

ORD 기록
ord-a1365fc01f2d43089c5bf97e7132d39b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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