Acetate → 4-(2,4-Dimethoxy-pyrimidin-5-yl)-2-morpholin-4-yl-7-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

HRID 2146682Notes

Reaction equation

HRID 2146682 reaction equation
[C:50]([O-:51])(=[O:52])[CH3:53].[C:55]([O-:56])(=[O:57])[CH3:58].[CH3:23][O:24][c:25]1[n:26][cH:27][c:28]([B:33]2[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]2)[c:29]([O:31][CH3:32])[n:30]1.[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[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+:47].[K+:48].[K+:49].[P:42]([O-:43])([O-:44])([O-:45])=[O:46].[Pd+2:54]>>[c:2]1(-[c:28]2[cH:27][n:26][c:25]([O:24][CH3:23])[n:30][c:29]2[O:31][CH3:32])[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 162183882,4-Dimethoxypyrimidine-5-boronic acid pinacol esterHCID 592447084-chloro-2-morpholin-4-yl-7-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

Product 1

HCID 592447284-(2,4-Dimethoxy-pyrimidin-5-yl)-2-morpholin-4-yl-7-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

Sources & evidence

ORD record
ord-21a734500d1a4435b0213666a055ab06
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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