Palladium → 4-[3-([1,2,4]Triazolo[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)[n:12][cH:13][n:14]3.[CH2:81]1[O:82][CH2:83][CH2:84][O:85][CH2:86]1.[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[O:107]=[C:108]([CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1)[CH:117]=[CH:118][c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1.[O:125]=[C:126]([CH:127]=[CH:128][c:129]1[cH:130][cH:131][cH:132][cH:133][cH:134]1)[CH:135]=[CH:136][c:137]1[cH:138][cH:139][cH:140][cH:141][cH:142]1.[O:89]=[C:90]([CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1)[CH:99]=[CH:100][c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1.[Pd:87].[Pd:88].[SH:15][c:16]1[cH:17][c:18]([C:22]2([C:28]#[N:29])[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[cH:19][cH:20][cH:21]1.[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[c:48]3[c:72]([cH:73][cH:74][cH:75]2)[C:69]([CH3:70])([CH3:71])[c:51]2[c:50]([c:55]([P:56]([c:57]4[cH:58][cH:59][cH:60][cH:61][cH:62]4)[c:63]4[cH:64][cH:65][cH:66][cH:67][cH:68]4)[cH:54][cH:53][cH:52]2)[O:49]3)[cH:76][cH:77][cH:78][cH:79][cH:80]1>>[c:2]1([S:15][c:16]2[cH:17][c:18]([C:22]3([C:28]#[N:29])[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[cH:19][cH:20][cH:21]2)[cH:3][c:4]2[cH:5][cH:6][c:7]3[n:8]([c:9]2[cH:10][cH:11]1)[n:12][cH:13][n: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 187863864-(3-Mercapto-phenyl)-tetrahydro-pyran-4-carbonitrile
HCID 582577957-Bromo-[1,2,4]triazolo[1,5-a]quinolineProduct 1
Sources & evidence
- ORD record
- ord-73dc570ea3424a62ab1abaaee76b2472
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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