Tetrahydrofuran → 6-(3-(2,4-Difluorophenyl)-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-3-isopropyl-[1,2,4]triazolo[4,3-b]pyridazine

HRID 293234Notes

Reaction equation

HRID 293234 reaction equation
[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[F:1][c:2]1[c:3](-[c:9]2[n:10][nH:11][cH:12][c:13]2-[c:14]2[cH:15][cH:16][c:17]3[n:18]([n:19]2)[c:20]([CH:23]([CH3:24])[CH3:25])[n:21][n:22]3)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[O:26]1[CH2:27][CH2:28][CH:29]([OH:32])[CH2:30][CH2:31]1.[O:52]=[C:53]([O:54][CH2:55][CH3:56])[N:57]=[N:58][C:59]([O:60][CH2:61][CH3:62])=[O:63].[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1>>[F:1][c:2]1[c:3](-[c:9]2[n:10][n:11]([CH:29]3[CH2:28][CH2:27][O:26][CH2:31][CH2:30]3)[cH:12][c:13]2-[c:14]2[cH:15][cH:16][c:17]3[n:18]([n:19]2)[c:20]([CH:23]([CH3:24])[CH3:25])[n:21][n:22]3)[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

6

Reactant 5

HCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 74956Tetrahydro-4H-pyran-4-olHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 178440301HCID 178440301, compound

Product 1

HCID 579299506-(3-(2,4-Difluorophenyl)-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-3-isopropyl-[1,2,4]triazolo[4,3-b]pyridazine

Sources & evidence

ORD record
ord-e1e842109e774ae0bfc8b1b2ecfd2ace
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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