Acetate → 3-[2-(1,3-Benzodioxol-5-yl)ethenyl]-6-fluoro-5-nitro-1-tritylindazole

HRID 97694Notes

Reaction equation

HRID 97694 reaction equation
[C:45]([P:46]([C:47]([CH3:48])([CH3:49])[CH3:50])[c:51]1[cH:52][cH:53][cH:54][cH:55][c:56]1-[c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1)([CH3:63])([CH3:64])[CH3:65].[C:76]([O-:77])(=[O:78])[CH3:79].[C:81]([O-:82])(=[O:83])[CH3:84].[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[CH3:73][C:74]#[N:75].[CH:34](=[CH2:35])[c:36]1[cH:37][c:38]2[c:39]([cH:43][cH:44]1)[O:40][CH2:41][O:42]2.[F:1][c:2]1[c:3]([N+:31](=[O:32])[O-:33])[cH:4][c:5]2[c:6]([I:30])[n:7][n:8]([C:11]([c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)([c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[c:9]2[cH:10]1.[Pd+2:80]>>[F:1][c:2]1[c:3]([N+:31](=[O:32])[O-:33])[cH:4][c:5]2[c:6]([CH:35]=[CH:34][c:36]3[cH:37][c:38]4[c:39]([cH:43][cH:44]3)[O:40][CH2:41][O:42]4)[n:7][n:8]([C:11]([c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)([c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[c:9]2[cH:10]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 6342AcetonitrileHCID 8471TriethylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 1389861,3-Benzodioxole, 5-ethenyl-HCID 27342152-(Di-tert-butylphosphino)biphenylHCID 68930344HCID 68930344, compound

Product 1

HCID 689305273-[2-(1,3-Benzodioxol-5-yl)ethenyl]-6-fluoro-5-nitro-1-tritylindazole

Sources & evidence

ORD record
ord-1d19b029774546f8a13fcc3cf96712a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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