Tetrahydrofuran → 4-[4-[2-(1-methyl-1H-pyrazol-5-yl)ethoxy]phenyl]-1-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol

HRID 682046Notes

Reaction equation

HRID 682046 reaction equation
[CH2:95]1[O:96][CH2:97][CH2:98][CH2:99]1.[CH3:42][n:43]1[n:44][cH:45][cH:46][c:47]1[CH2:48][CH2:49][O:50][c:51]1[cH:52][cH:53][c:54]([CH:55]2[CH2:56][CH2:57][N:58]([C:59]3=[N:71][n:63]4[c:62]([n:70][n:69][c:64]4[C:65]([F:66])([F:67])[F:68])[CH2:61][CH2:60]3)[CH2:72][CH2:73]2)[cH:74][cH:75]1.[O:1]=[C:2]([O:3][CH:4]([CH3:5])[CH3:6])[N:7]=[N:8][C:9]([O:10][CH:11]([CH3:12])[CH3:13])=[O:14].[OH:15][c:16]1[cH:17][cH:18][c:19]([C:22]2([OH:41])[CH2:23][CH2:24][N:25]([c:28]3[cH:29][cH:30][c:31]4[n:32]([n:33]3)[c:34]([C:37]([F:38])([F:39])[F:40])[n:35][n:36]4)[CH2:26][CH2:27]2)[cH:20][cH:21]1.[c:76]1([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[cH:90][cH:91][cH:92][cH:93][cH:94]1>>[O:15]([c:16]1[cH:17][cH:18][c:19]([C:22]2([OH:41])[CH2:23][CH2:24][N:25]([c:28]3[cH:29][cH:30][c:31]4[n:32]([n:33]3)[c:34]([C:37]([F:38])([F:39])[F:40])[n:35][n:36]4)[CH2:26][CH2:27]2)[cH:20][cH:21]1)[CH2:49][CH2:48][c:47]1[n:43]([CH3:42])[n:44][cH:45][cH:46]1

Participants

6

Reactant 5

HCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 75555Diisopropyl diazene-1,2-dicarboxylateHCID 468938506-[4-[4-[2-(1-methyl-1H-pyrazol-5-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro[1,2,4]triazolo[4,3-b]pyridazineHCID 667887034-(4-Hydroxyphenyl)-1-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol

Product 1

HCID 441259734-[4-[2-(1-methyl-1H-pyrazol-5-yl)ethoxy]phenyl]-1-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol

Sources & evidence

ORD record
ord-7b29e100d2944f03aab026c6c12bc5c9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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