Palladium → 4-{2-[(4-Chloro-1-oxo-1,2-dihydro-phthalazin-6-ylamino)-methyl]-4-trifluoromethyl-phenyl}-piperazine-1-carboxylic acid tert-butyl ester
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]([CH2:37][NH2:38])[cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]2)[CH2:25][CH2:26]1.[O:105]=[C:106]([CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1)[CH:115]=[CH:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1.[O:123]=[C:124]([CH:125]=[CH:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1)[CH:133]=[CH:134][c:135]1[cH:136][cH:137][cH:138][cH:139][cH:140]1.[O:87]=[C:88]([CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1)[CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[Pd:85].[Pd:86].[cH:39]1[cH:40][cH:41][c:42]([P:43]([c:44]2[cH:45][cH:46][c:47]3[c:48]([cH:49][cH:50][cH:51][cH:52]3)[c:53]2-[c:54]2[c:55]3[c:56]([cH:57][cH:58][cH:59][cH:60]3)[cH:61][cH:62][c:63]2[P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[cH:83][cH:84]1>>[c:2]1([NH:38][CH2:37][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][c:30]([C:33]([F:34])([F:35])[F:36])[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]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-4e41bdc6fdf140d48abbd00b96900c0e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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