Dimethylformamide → 6-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl)-4-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-quinoline

HRID 681190Notes

Reaction equation

HRID 681190 reaction equation
[Br:55][c:56]1[cH:57][c:58]2[c:59]([cH:60][cH:61]1)[n:62][cH:63][cH:64][c:65]2[S:66][c:67]1[n:68]2[n:69][c:70]([CH3:71])[cH:72][cH:73][c:74]2[n:75][n:76]1.[CH3:22][c:23]1[cH:24][cH:25][c:26]2[n:27]([c:28]([SH:29])[n:30][n:31]2)[n:32]1.[CH3:77][n:78]1[c:79]([SH:83])[n:80][n:81][cH:82]1.[CH:13]([N:14]([CH:15]([CH3:16])[CH3:17])[CH2:18][CH3:19])([CH3:20])[CH3:21].[Cl:1][c:2]1[c:3]2[c:4]([cH:5][cH:6][c:7]([Br:8])[cH:9]2)[n:10][cH:11][cH:12]1.[Cl:33][c:34]1[cH:35][cH:36][n:37][c:38]2[cH:39][cH:40][c:41]([S:44][c:45]3[n:46][n:47][c:48]4[n:49]3[n:50][c:51]([CH3:54])[cH:52][cH:53]4)[cH:42][c:43]12.[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:84]=[CH:85][N:86]([CH3:87])[CH3:88].[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:34]1([S:83][c:79]2[n:78]([CH3:77])[cH:82][n:81][n:80]2)[cH:35][cH:36][n:37][c:38]2[cH:39][cH:40][c:41]([S:44][c:45]3[n:46][n:47][c:48]4[n:49]3[n:50][c:51]([CH3:54])[cH:52][cH:53]4)[cH:42][c:43]12

Participants

10

Reactant 9

HCID 6228DimethylformamideHCID 23938Palladium2×HCID 81531DiisopropylethylamineHCID 95417Dibenzylidene acetone3×HCID 51395376-Bromo-4-chloroquinolineHCID 689019394-Chloro-6-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl)-quinolineHCID 689763766-Bromo-4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl)-quinolineHCID 178423528HCID 178423528, compoundHCID 178481306HCID 178481306, compound

Product 1

HCID 579110176-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl)-4-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-quinoline

Sources & evidence

ORD record
ord-a8822beefca5450f9ac73fa10c3b888a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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