Palladium → 4-[3-(2,4-Dichloro-quinolin-7-ylsulfanyl)-phenyl]-tetrahydro-pyran-4-carbonitrile

HRID 312418Notes

Reaction equation

HRID 312418 reaction equation
[CH2:80]1[O:81][CH2:82][CH2:83][O:84][CH2:85]1.[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[Cl:1][c:2]1[n:3][c:4]2[cH:5][c:6]([I:13])[cH:7][cH:8][c:9]2[c:10]([Cl:12])[cH:11]1.[O:106]=[C:107]([CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1)[CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[O:124]=[C:125]([CH:126]=[CH:127][c:128]1[cH:129][cH:130][cH:131][cH:132][cH:133]1)[CH:134]=[CH:135][c:136]1[cH:137][cH:138][cH:139][cH:140][cH:141]1.[O:88]=[C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)[CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[Pd:86].[Pd:87].[SH:14][c:15]1[cH:16][c:17]([C:21]2([C:27]#[N:28])[CH2:22][CH2:23][O:24][CH2:25][CH2:26]2)[cH:18][cH:19][cH:20]1.[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[c:47]3[c:71]([cH:72][cH:73][cH:74]2)[C:68]([CH3:69])([CH3:70])[c:50]2[c:49]([c:54]([P:55]([c:56]4[cH:57][cH:58][cH:59][cH:60][cH:61]4)[c:62]4[cH:63][cH:64][cH:65][cH:66][cH:67]4)[cH:53][cH:52][cH:51]2)[O:48]3)[cH:75][cH:76][cH:77][cH:78][cH:79]1>>[Cl:1][c:2]1[n:3][c:4]2[cH:5][c:6]([S:14][c:15]3[cH:16][c:17]([C:21]4([C:27]#[N:28])[CH2:22][CH2:23][O:24][CH2:25][CH2:26]4)[cH:18][cH:19][cH:20]3)[cH:7][cH:8][c:9]2[c:10]([Cl:12])[cH:11]1

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 187863864-(3-Mercapto-phenyl)-tetrahydro-pyran-4-carbonitrileHCID 866138212,4-Dichloro-7-iodo-quinoline

Product 1

HCID 866138254-[3-(2,4-Dichloro-quinolin-7-ylsulfanyl)-phenyl]-tetrahydro-pyran-4-carbonitrile

Sources & evidence

ORD record
ord-810cd20cb3cb492d9cd8c84b56d66259
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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