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Carbonate Ion → tert-Butyl 4-(4-(6-Bromo-4-methyl-3-oxo-3,4-dihydropyrazin-2-ylamino)phenyl)piperidine-1-carboxylate

HRID 121587
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HRID 121587 반응식
[Br:21][c:22]1[c:23](=[O:30])[n:24]([CH3:29])[cH:25][c:26]([Br:28])[n:27]1.[C:31](=[O:32])([O-:33])[O-:34].[CH2:93]1[O:94][CH2:95][CH2:96][O:97][CH2:98]1.[Cs+:35].[Cs+:36].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12][CH2:13]2)[cH:6][cH:7]1.[O:39]=[C:40]([CH:41]=[CH:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)[CH:49]=[CH:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[O:57]=[C:58]([CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1)[CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[O:75]=[C:76]([CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1)[CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[Pd:37].[Pd:38]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH2:9][CH2:10][N:11]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:12][CH2:13]2)[cH:6][cH:7]1)[c:22]1[c:23](=[O:30])[n:24]([CH3:29])[cH:25][c:26]([Br:28])[n:27]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 19660Carbonate IonHCID 23938Palladium2회HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3회HCID 104967Cesium cation2회HCID 130629693,5-Dibromo-1-methyl-1H-pyrazin-2-oneHCID 21940085tert-Butyl 4-(4-aminophenyl)piperidine-1-carboxylate

생성물 1

HCID 58043998tert-Butyl 4-(4-(6-Bromo-4-methyl-3-oxo-3,4-dihydropyrazin-2-ylamino)phenyl)piperidine-1-carboxylate

출처 및 근거

ORD 기록
ord-7a06404d72554982871f2b572869c94d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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