Acetate → tert-butyl 3-[3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-4-propoxyphenyl]prop-2-enoate

HRID 663453Notes

Reaction equation

HRID 663453 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([O:22][CH2:23][CH2:24][CH3:25])[c:6](-[c:8]2[nH:9][c:10](=[O:21])[c:11]3[c:12]([n:13]2)[c:14]([CH2:18][CH2:19][CH3:20])[n:15][n:16]3[CH3:17])[cH:7]1.[C:55]([CH:56]=[CH2:57])(=[O:58])[O:59][C:60]([CH3:61])([CH3:62])[CH3:63].[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:64][C:65]#[N:66].[CH3:79][OH:80].[Cl:67][CH2:68][Cl:69].[O-:71][C:72]([CH3:73])=[O:74].[O-:75][C:76]([CH3:77])=[O:78].[Pd+2:70].[c:33]1([CH3:34])[cH:35][cH:36][cH:37][cH:38][c:39]1[P:40]([c:41]1[cH:42][cH:43][cH:44][cH:45][c:46]1[CH3:47])[c:48]1[cH:49][cH:50][cH:51][cH:52][c:53]1[CH3:54]>>[c:2]1([CH:57]=[CH:56][C:55](=[O:58])[O:59][C:60]([CH3:61])([CH3:62])[CH3:63])[cH:3][cH:4][c:5]([O:22][CH2:23][CH2:24][CH3:25])[c:6](-[c:8]2[nH:9][c:10](=[O:21])[c:11]3[c:12]([n:13]2)[c:14]([CH2:18][CH2:19][CH3:20])[n:15][n:16]3[CH3:17])[cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 887MethanolHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 8471TriethylamineHCID 15458tert-Butyl acrylateHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 1361515895-(5-Bromo-2-propoxyphenyl)-1,6-dihydro-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one

Product 1

HCID 136110822tert-butyl 3-[3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-5-yl)-4-propoxyphenyl]prop-2-enoate

Sources & evidence

ORD record
ord-89ace634ea814f969bca2bcced792016
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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