Ethyl Acetate → HCID 67417840, compound

HRID 1137329Notes

Reaction equation

HRID 1137329 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.[C:14]([CH3:15])([CH3:16])([CH3:17])[O:18][C:19](=[O:20])[N:21]1[CH2:22][CH2:23][N:24]([c:27]2[c:28]([CH2:33][NH2:34])[cH:29][cH:30][cH:31][cH:32]2)[CH2:25][CH2:26]1.[CH3:35][CH2:36][O:37][C:38]([CH3:39])=[O:40].[O:43]=[C:44]([CH:45]=[CH:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[O:61]=[C:62]([CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[O:79]=[C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)[CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[Pd:41].[Pd:42]>>[c:2]1([NH:34][CH2:33][c:28]2[c:27]([N:24]3[CH2:23][CH2:22][N:21]([C:19]([O:18][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:20])[CH2:26][CH2:25]3)[cH:32][cH:31][cH:30][cH:29]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 4961274Tert-butyl 4-[2-(aminomethyl)phenyl]piperazine-1-carboxylateHCID 533084876-Bromo-4-chlorophthalazin-1(2H)-one

Product 1

HCID 67417840HCID 67417840, compound

Sources & evidence

ORD record
ord-3d40f2eff72d42de9197e783e039bedf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…