Palladium → 4-[3-(1-Methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinolin-8-ylsulfanyl)-phenyl]-tetrahydro-pyran-4-ol

HRID 93828Notes

Reaction equation

HRID 93828 reaction equation
[CH2:87]1[O:88][CH2:89][CH2:90][O:91][CH2:92]1.[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[I:1][c:2]1[cH:3][cH:4][c:5]2[c:6](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[cH:7][c:8]3[n:9]([c:10]2[cH:11]1)[c:12]([CH3:15])[n:13][n:14]3.[O:113]=[C:114]([CH:115]=[CH:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1)[CH:123]=[CH:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1.[O:131]=[C:132]([CH:133]=[CH:134][c:135]1[cH:136][cH:137][cH:138][cH:139][cH:140]1)[CH:141]=[CH:142][c:143]1[cH:144][cH:145][cH:146][cH:147][cH:148]1.[O:95]=[C:96]([CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1)[CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1.[Pd:93].[Pd:94].[SH:22][c:23]1[cH:24][c:25]([C:29]2([OH:35])[CH2:30][CH2:31][O:32][CH2:33][CH2:34]2)[cH:26][cH:27][cH:28]1.[c:45]1([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[c:54]3[c:78]([cH:79][cH:80][cH:81]2)[C:75]([CH3:76])([CH3:77])[c:57]2[c:56]([c:61]([P:62]([c:63]4[cH:64][cH:65][cH:66][cH:67][cH:68]4)[c:69]4[cH:70][cH:71][cH:72][cH:73][cH:74]4)[cH:60][cH:59][cH:58]2)[O:55]3)[cH:82][cH:83][cH:84][cH:85][cH:86]1>>[c:2]1([S:22][c:23]2[cH:24][c:25]([C:29]3([OH:35])[CH2:30][CH2:31][O:32][CH2:33][CH2:34]3)[cH:26][cH:27][cH:28]2)[cH:3][cH:4][c:5]2[c:6](-[c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[cH:7][c:8]3[n:9]([c:10]2[cH:11]1)[c:12]([CH3:15])[n:13][n:14]3

Participants

8

Reactant 7

HCID 23938Palladium2×HCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 95417Dibenzylidene acetone3×HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)HCID 582578014-(3-Mercapto-phenyl)-tetrahydro-pyran-4-olHCID 670910128-Iodo-1-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline

Product 1

HCID 670909434-[3-(1-Methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinolin-8-ylsulfanyl)-phenyl]-tetrahydro-pyran-4-ol

Sources & evidence

ORD record
ord-406d0885f1be4a7d911d0a6df7c913dc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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