Acetate → bis-(4-methoxy-benzyl)-[5-(2-morpholin-4-yl-7-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-yl]-amine

HRID 671176Notes

Reaction equation

HRID 671176 reaction equation
[C:65]([O-:66])(=[O:67])[CH3:68].[C:70]([O-:71])(=[O:72])[CH3:73].[CH3:23][O:24][c:25]1[cH:26][cH:27][c:28]([CH2:29][N:30]([c:31]2[n:32][cH:33][c:34]([B:37]3[O:38][C:39]([CH3:40])([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45]3)[cH:35][n:36]2)[CH2:46][c:47]2[cH:48][cH:49][c:50]([O:53][CH3:54])[cH:51][cH:52]2)[cH:55][cH:56]1.[CH3:74][N:75]([CH3:76])[CH:77]=[O:78].[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6]([N:8]3[CH2:9][CH2:10][O:11][CH2:12][CH2:13]3)[n:7]1)[N:14]([c:17]1[cH:18][cH:19][n:20][cH:21][cH:22]1)[CH2:15][CH2:16]2.[K+:62].[K+:63].[K+:64].[P:57]([O-:58])([O-:59])([O-:60])=[O:61].[Pd+2:69]>>[c:2]1(-[c:34]2[cH:33][n:32][c:31]([N:30]([CH2:29][c:28]3[cH:27][cH:26][c:25]([O:24][CH3:23])[cH:56][cH:55]3)[CH2:46][c:47]3[cH:48][cH:49][c:50]([O:53][CH3:54])[cH:51][cH:52]3)[n:36][cH:35]2)[c:3]2[c:4]([n:5][c:6]([N:8]3[CH2:9][CH2:10][O:11][CH2:12][CH2:13]3)[n:7]1)[N:14]([c:17]1[cH:18][cH:19][n:20][cH:21][cH:22]1)[CH2:15][CH2:16]2

Participants

8

Reactant 7

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 1061PhosphateHCID 6228DimethylformamideHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 592447084-chloro-2-morpholin-4-yl-7-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidineHCID 67385320Bis-(4-methoxybenzyl)-[5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrimidin-2-yl]amine

Product 1

HCID 67386412bis-(4-methoxy-benzyl)-[5-(2-morpholin-4-yl-7-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-yl]-amine

Sources & evidence

ORD record
ord-7f33d3b1e5bd4b709ce3533b549ad7c3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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