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 2127277Notes

Reaction equation

HRID 2127277 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:33]([CH:34]=[CH2:35])(=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41].[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:42][OH:43].[CH3:44][C:45]#[N:46].[Cl:47][CH2:48][Cl:49].[O-:51][C:52]([CH3:53])=[O:54].[O-:55][C:56]([CH3:57])=[O:58].[Pd+2:50]>>[c:2]1([CH:35]=[CH:34][C:33](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[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

9

Reactant 8

HCID 175Acetate2×HCID 887MethanolHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 8471TriethylamineHCID 15458tert-Butyl acrylateHCID 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-61adaa862daa47f8879414f6a935d40b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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