Water → 7-(2,2-dimethylpropyl)-3-(2-fluorophenyl)-6-(2-methyl-2H-1,2,4-triazol-3-ylmethoxy)-1,2,4-triazolo[4,3-b]pyridazine

HRID 1238385Notes

Reaction equation

HRID 1238385 reaction equation
[Br:11][c:12]1[cH:13][c:14]2[n:15]([n:16][c:17]1[O:18][CH2:19][c:20]1[n:21]([CH3:25])[n:22][cH:23][n:24]1)[c:26](-[c:29]1[c:30]([F:35])[cH:31][cH:32][cH:33][cH:34]1)[n:27][n:28]2.[Br:1][CH2:2][CH2:3][Br:4].[CH2:5]([C:6]([CH3:7])([CH3:8])[CH3:9])[I:10].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[O:60]=[C:61]([CH:62]=[CH:63][c:64]1[cH:65][cH:66][cH:67][cH:68][cH:69]1)[CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[O:78]=[C:79]([CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1)[CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1.[O:96]=[C:97]([CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1)[CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1.[OH2:114].[Pd:58].[Pd:59].[Zn:57].[o:36]1[cH:37][cH:38][cH:39][c:40]1[P:41]([c:42]1[o:43][cH:44][cH:45][cH:46]1)[c:47]1[o:48][cH:49][cH:50][cH:51]1>>[CH2:5]([C:6]([CH3:7])([CH3:8])[CH3:9])[c:12]1[cH:13][c:14]2[n:15]([n:16][c:17]1[O:18][CH2:19][c:20]1[n:21]([CH3:25])[n:22][cH:23][n:24]1)[c:26](-[c:29]1[c:30]([F:35])[cH:31][cH:32][cH:33][cH:34]1)[n:27][n:28]2

Participants

10

Reactant 9

HCID 962WaterHCID 6228DimethylformamideHCID 78391,2-DibromoethaneHCID 23938Palladium2×HCID 23994ZincHCID 84953Propane, 1-iodo-2,2-dimethyl-HCID 95417Dibenzylidene acetone3×HCID 521585Tris(furan-2-yl)phosphaneHCID 154861777-bromo-3-(2-fluorophenyl)-6-(2-methyl2H-1,2,4-triazol-3-ylmethoxy)-1,2,4-triazolo[4,3-b]pyridazine

Product 1

HCID 226098947-(2,2-dimethylpropyl)-3-(2-fluorophenyl)-6-(2-methyl-2H-1,2,4-triazol-3-ylmethoxy)-1,2,4-triazolo[4,3-b]pyridazine

Sources & evidence

ORD record
ord-172aba8d036a4efeb1fe56e4708eab5c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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