Palladium → 4-[3-Fluoro-5-(1-methyl-imidazo[1,5-a]quinolin-7-ylsulfanyl)-phenyl]-tetrahydro-pyran-4-carbonitrile
Reaction equation
[Br:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]3[n:8]([c:9]2[cH:10][cH:11]1)[c:12]([CH3:15])[n:13][cH:14]3.[CH2:83]1[O:84][CH2:85][CH2:86][O:87][CH2:88]1.[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[F:16][c:17]1[cH:18][c:19]([C:24]2([C:30]#[N:31])[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[cH:20][c:21]([SH:23])[cH:22]1.[O:109]=[C:110]([CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1)[CH:119]=[CH:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1.[O:127]=[C:128]([CH:129]=[CH:130][c:131]1[cH:132][cH:133][cH:134][cH:135][cH:136]1)[CH:137]=[CH:138][c:139]1[cH:140][cH:141][cH:142][cH:143][cH:144]1.[O:91]=[C:92]([CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1)[CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[Pd:89].[Pd:90].[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[c:50]3[c:74]([cH:75][cH:76][cH:77]2)[C:71]([CH3:72])([CH3:73])[c:53]2[c:52]([c:57]([P:58]([c:59]4[cH:60][cH:61][cH:62][cH:63][cH:64]4)[c:65]4[cH:66][cH:67][cH:68][cH:69][cH:70]4)[cH:56][cH:55][cH:54]2)[O:51]3)[cH:78][cH:79][cH:80][cH:81][cH:82]1>>[c:2]1([S:23][c:21]2[cH:20][c:19]([C:24]3([C:30]#[N:31])[CH2:25][CH2:26][O:27][CH2:28][CH2:29]3)[cH:18][c:17]([F:16])[cH:22]2)[cH:3][c:4]2[cH:5][cH:6][c:7]3[n:8]([c:9]2[cH:10][cH:11]1)[c:12]([CH3:15])[n:13][cH:14]3Participants
8
Reactant 7
HCID 23938Palladium2×
HCID 312751,4-Dioxane
HCID 81531Diisopropylethylamine
HCID 95417Dibenzylidene acetone3×
HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)
HCID 113568234-(3-Fluoro-5-mercapto-phenyl)-tetrahydro-pyran-4-carbonitrile
HCID 670913757-Bromo-1-methyl-imidazo[1,5-a]quinolineProduct 1
Sources & evidence
- ORD record
- ord-59771899a5ef47738a16ffd98ebb805d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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