Acetate → 3-((4-amino-3-(3-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-2-isopropyl-8-methylisoquinolin-1(2H)-one

HRID 317122

Reaction equation

HRID 317122 reaction equation
[C:63](=[O:64])([O-:65])[O-:66].[CH3:28][C:29]1([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34][B:35]([c:36]2[cH:37][c:38]([OH:42])[cH:39][cH:40][cH:41]2)[O:43]1.[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH2:12][c:13]1[n:14]([CH:25]([CH3:26])[CH3:27])[c:15](=[O:24])[c:16]3[c:17]([CH3:23])[cH:18][cH:19][cH:20][c:21]3[cH:22]1)[n:9][c:10]2[I:11].[Na+:67].[Na+:68].[O-:70][C:71]([CH3:72])=[O:73].[O-:74][C:75]([CH3:76])=[O:77].[Pd+2:69].[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH2:12][c:13]1[n:14]([CH:25]([CH3:26])[CH3:27])[c:15](=[O:24])[c:16]3[c:17]([CH3:23])[cH:18][cH:19][cH:20][c:21]3[cH:22]1)[n:9][c:10]2-[c:36]1[cH:37][c:38]([OH:42])[cH:39][cH:40][cH:41]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 923Sodium ion2×HCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27346233-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenolHCID 580088813-((4-Amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-2-isopropyl-8-methylisoquinolin-1(2H)-one

Product 1

HCID 580089843-((4-amino-3-(3-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-2-isopropyl-8-methylisoquinolin-1(2H)-one

Sources & evidence

ORD record
ord-06f81cea6dbf4f61b0ea7ec758f81adc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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