Carbonate Ion → Tert-Butyl 4-(6-(5-Bromo-1-methyl-2-oxo-1,2-dihydropyridin-3-ylamino)pyridin-3-yl)-3-oxopiperazine-1-carboxylate

HRID 2325928Notes

Reaction equation

HRID 2325928 reaction equation
[Br:22][c:23]1[c:24](=[O:31])[n:25]([CH3:30])[cH:26][c:27]([Br:29])[cH:28]1.[C:32](=[O:33])([O-:34])[O-:35].[CH2:38]1[O:39][CH2:40][CH2:41][O:42][CH2:43]1.[Cs+:36].[Cs+:37].[NH2:1][c:2]1[cH:3][cH:4][c:5]([N:8]2[C:9](=[O:21])[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][n:7]1.[O:46]=[C:47]([CH:48]=[CH:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[CH:56]=[CH:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[O:64]=[C:65]([CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)[CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[O:82]=[C:83]([CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1)[CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1.[Pd:44].[Pd:45]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([N:8]2[C:9](=[O:21])[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][n:7]1)[c:23]1[c:24](=[O:31])[n:25]([CH3:30])[cH:26][c:27]([Br:29])[cH:28]1

Participants

8

Reactant 7

HCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 36143503,5-Dibromo-1-methylpyridin-2(1H)-oneHCID 59290959Tert-butyl 4-(6-aminopyridin-3-yl)-3-oxopiperazine-1-carboxylate

Product 1

HCID 58043897Tert-Butyl 4-(6-(5-Bromo-1-methyl-2-oxo-1,2-dihydropyridin-3-ylamino)pyridin-3-yl)-3-oxopiperazine-1-carboxylate

Sources & evidence

ORD record
ord-8174d406a1bb45fcae67cc1b71b253ba
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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