Acetate → 5-(Cyclobutylethynyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole

HRID 308109Notes

Reaction equation

HRID 308109 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[cH:5][n:6][n:7]([CH:11]3[O:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[c:8]2[cH:9][cH:10]1.[C:17](=[O:18])([O-:19])[O-:20].[CH:23]1([C:27]#[C:28][Si:29]([CH3:30])([CH3:31])[CH3:32])[CH2:24][CH2:25][CH2:26]1.[Cs+:21].[Cs+:22].[Cu:35][I:36].[Fe+2:82].[N:33]#[N:34].[O-:38][C:39]([CH3:40])=[O:41].[O-:42][C:43]([CH3:44])=[O:45].[Pd+2:37].[cH:46]1[cH:47][cH:48][c:49]([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c-:57]2[cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63]1.[cH:64]1[cH:65][cH:66][c:67]([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c-:75]2[cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81]1>>[c:2]1([C:28]#[C:27][CH:23]2[CH2:24][CH2:25][CH2:26]2)[cH:3][c:4]2[cH:5][n:6][n:7]([CH:11]3[O:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[c:8]2[cH:9][cH:10]1

Participants

11

Reactant 10

HCID 175Acetate2×HCID 947NitrogenHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 27284Ferrous cationHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 534338265-bromo-1-(oxan-2-yl)-1H-indazoleHCID 66793217(Cyclobutylethynyl)trimethylsilaneHCID 178420532HCID 178420532, compound2×

Product 1

HCID 667938035-(Cyclobutylethynyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole

Sources & evidence

ORD record
ord-43b4f2b15ba942bb9aa771715ad385eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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