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

HRID 189515Notes

Reaction equation

HRID 189515 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)[n:14]([CH2:18][CH2:19][CH3:20])[n:15][c: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].[O-:68][C:69]([CH3:70])=[O:71].[O-:72][C:73]([CH3:74])=[O:75].[Pd+2:67].[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)[n:14]([CH2:18][CH2:19][CH3:20])[n:15][c:16]3[CH3:17])[cH:7]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 6342AcetonitrileHCID 8471TriethylamineHCID 15458tert-Butyl acrylateHCID 80271Tri-o-tolylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 1361090086-(5-Bromo-2-n-propoxyphenyl)-3-methyl-1-n-propyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

Product 1

HCID 136093958tert-butyl 3-[3-(3-methyl-4-oxo-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-propoxyphenyl]prop-2-enoate

Sources & evidence

ORD record
ord-86842da658e84a129ecdeeef51bfc205
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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