Dimethylformamide → 3-(3-(2,4-Difluoro-5-(3-phenylureido)phenyl)-1-ethyl-2-oxo-1,2-dihydro-1,6-naphthyridin-7-yl)-1,1-dimethylurea

HRID 137710

Reaction equation

HRID 137710 reaction equation
[C:33](=[O:34])([O-:35])[O-:36].[CH3:39][N:40]([C:41](=[O:42])[NH2:43])[CH3:44].[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[Cl:1][c:2]1[n:3][cH:4][c:5]2[cH:6][c:7](-[c:15]3[c:16]([F:32])[cH:17][c:18]([F:31])[c:19]([NH:21][C:22](=[O:23])[NH:24][c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:20]3)[c:8](=[O:14])[n:9]([CH2:12][CH3:13])[c:10]2[cH:11]1.[Cs+:37].[Cs+:38].[O:113]=[CH:114][N:115]([CH3:116])[CH3:117].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[O:59]=[C:60]([CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[O:77]=[C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)[CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[O:95]=[C:96]([CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1)[CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1.[Pd:57].[Pd:58]>>[c:2]1([NH:43][C:41]([N:40]([CH3:39])[CH3:44])=[O:42])[n:3][cH:4][c:5]2[cH:6][c:7](-[c:15]3[c:16]([F:32])[cH:17][c:18]([F:31])[c:19]([NH:21][C:22](=[O:23])[NH:24][c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:20]3)[c:8](=[O:14])[n:9]([CH2:12][CH3:13])[c:10]2[cH:11]1

Participants

10

Reactant 9

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 11737N,N-DimethylureaHCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×HCID 867137001-(5-(7-Chloro-1-ethyl-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl)-2,4-difluorophenyl)-3-phenylurea

Product 1

HCID 715849063-(3-(2,4-Difluoro-5-(3-phenylureido)phenyl)-1-ethyl-2-oxo-1,2-dihydro-1,6-naphthyridin-7-yl)-1,1-dimethylurea

Sources & evidence

ORD record
ord-43d186ccdfba48d9982d5746d6c65872
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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