Sodium ion → HCID 24948535, compound

HRID 200454

Reaction equation

HRID 200454 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([Cl:13])[n:6][nH:7][c:8](=[O:12])[c:9]2[cH:10][cH:11]1.[CH3:24][C:25]([CH3:26])([O-:27])[CH3:28].[CH3:30][CH2:31][O:32][C:33]([CH3:34])=[O:35].[F:14][c:15]1[c:16]([CH2:17][NH2:18])[cH:19][c:20]([F:23])[cH:21][cH:22]1.[Na+:29].[O:38]=[C:39]([CH:40]=[CH:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[CH:48]=[CH:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[O:56]=[C:57]([CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1)[CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[Pd:36].[Pd:37]>>[c:2]1([NH:18][CH2:17][c:16]2[c:15]([F:14])[cH:22][cH:21][c:20]([F:23])[cH:19]2)[cH:3][c:4]2[c:5]([Cl:13])[n:6][nH:7][c:8](=[O:12])[c:9]2[cH:10][cH:11]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 8857Ethyl AcetateHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 1235892,5-DifluorobenzylamineHCID 45749132-Methylpropan-2-olateHCID 533084876-Bromo-4-chlorophthalazin-1(2H)-one

Product 1

HCID 24948535HCID 24948535, compound

Sources & evidence

ORD record
ord-f74b53b6804b410ba44ef1e796c9be65
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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