Acetate → 2-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dihydroisoquinolin-3(2H)-one

HRID 179940Notes

Reaction equation

HRID 179940 reaction equation
[C:27](=[O:28])([O-:29])[O-:30].[C:39]([O-:40])(=[O:41])[CH3:42].[C:44]([O-:45])(=[O:46])[CH3:47].[CH2:16]1[NH:17][C:18](=[O:26])[CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]21.[CH2:33]1[O:34][CH2:35][CH2:36][O:37][CH2:38]1.[Cl:1][c:2]1[n:3][c:4]([NH2:15])[n:5][c:6]([N:8]2[CH2:9][CH2:10][N:11]([CH3:14])[CH2:12][CH2:13]2)[cH:7]1.[Cs+:31].[Cs+:32].[Pd+2:43]>>[c:2]1([N:17]2[CH2:16][c:25]3[c:20]([cH:21][cH:22][cH:23][cH:24]3)[CH2:19][C:18]2=[O:26])[n:3][c:4]([NH2:15])[n:5][c:6]([N:8]2[CH2:9][CH2:10][N:11]([CH3:14])[CH2:12][CH2:13]2)[cH:7]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 904691,4-dihydro-2H-isoquinolin-3-oneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 14845194-Chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

Product 1

HCID 467013212-[2-Amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dihydroisoquinolin-3(2H)-one

Sources & evidence

ORD record
ord-9a4abbd17a9243659d580cabadea88df
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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