Acetate → 9-[2-(2-chloro-4-methyl-3-pyridinyl)ethenyl]-N-(4-dimethylphosphorylphenyl)purin-6-amine

HRID 185399Notes

Reaction equation

HRID 185399 reaction equation
[C:68]([O-:69])(=[O:70])[CH3:71].[C:73]([O-:74])(=[O:75])[CH3:76].[CH3:1][P:2](=[O:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][c:12]2[c:13]3[n:14][cH:15][n:16]([CH:21]=[CH2:22])[c:17]3[n:18][cH:19][n:20]2)[cH:9][cH:10]1.[CH:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH2:37][CH3:38])([CH3:39])[CH3:40].[Cl:23][c:24]1[n:25][cH:26][cH:27][c:28]([CH3:31])[c:29]1[I:30].[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[Pd+2:72].[c:41]1([CH3:42])[cH:43][cH:44][cH:45][cH:46][c:47]1[P:48]([c:49]1[cH:50][cH:51][cH:52][cH:53][c:54]1[CH3:55])[c:56]1[cH:57][cH:58][cH:59][cH:60][c:61]1[CH3:62]>>[CH3:1][P:2](=[O:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([NH:11][c:12]2[c:13]3[n:14][cH:15][n:16]([CH:21]=[CH:22][c:29]4[c:24]([Cl:23])[n:25][cH:26][cH:27][c:28]4[CH3:31])[c:17]3[n:18][cH:19][n:20]2)[cH:9][cH:10]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 6228DimethylformamideHCID 80271Tri-o-tolylphosphineHCID 81531DiisopropylethylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 451082072-Chloro-3-iodo-4-methylpyridineHCID 68925961N-(4-(Dimethylphosphoryl)phenyl)-9-vinyl-9H-purin-6-amine

Product 1

HCID 911055309-[2-(2-chloro-4-methyl-3-pyridinyl)ethenyl]-N-(4-dimethylphosphorylphenyl)purin-6-amine

Sources & evidence

ORD record
ord-b29f16105fa146ef875f6a697e6c2665
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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