Ethyl Acetate → HCID 24946521, compound

HRID 2334725Notes

Reaction equation

HRID 2334725 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.[CH3:27][CH2:28][O:29][C:30]([CH3:31])=[O:32].[O:35]=[C:36]([CH:37]=[CH:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[CH:45]=[CH:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[O:53]=[C:54]([CH:55]=[CH:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1)[CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[O:71]=[C:72]([CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1)[CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[Pd:33].[Pd:34].[n:14]1(-[c:19]2[cH:20][c:21]([CH2:22][NH2:23])[cH:24][cH:25][cH:26]2)[n:15][cH:16][cH:17][cH:18]1>>[c:2]1([NH:23][CH2:22][c:21]2[cH:20][c:19](-[n:14]3[n:15][cH:16][cH:17][cH:18]3)[cH:26][cH:25][cH:24]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

6

Reactant 5

HCID 8857Ethyl AcetateHCID 23938Palladium2×HCID 95417Dibenzylidene acetone3×HCID 7300971-[3-(1H-Pyrazol-1-yl)phenyl]methanamineHCID 533084876-Bromo-4-chlorophthalazin-1(2H)-one

Product 1

HCID 24946521HCID 24946521, compound

Sources & evidence

ORD record
ord-f185a56bdad14f8194224931e59b75ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…