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

HRID 1238190Notes

Reaction equation

HRID 1238190 reaction equation
[C:59]([O-:60])(=[O:61])[CH3:62].[C:64]([O-:65])(=[O:66])[CH3:67].[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.[Cl:23][c:24]1[n:25][cH:26][cH:27][c:28]([CH3:31])[c:29]1[I:30].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[Pd+2:63].[c:32]1([CH3:33])[cH:34][cH:35][cH:36][cH:37][c:38]1[P:39]([c:40]1[cH:41][cH:42][cH:43][cH:44][c:45]1[CH3:46])[c:47]1[cH:48][cH:49][cH:50][cH:51][c:52]1[CH3:53]>>[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

7

Reactant 6

HCID 175Acetate2×HCID 6228DimethylformamideHCID 80271Tri-o-tolylphosphineHCID 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-bb5b3b5b863c425594ef029c5c3b5b62
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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