Acetate → 2-(4-((6-Methoxypyridin-3-yl)methylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)-5-methylbenzonitrile

HRID 290160Notes

Reaction equation

HRID 290160 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([N:10]2[CH2:11][c:12]3[c:13]([n:14][cH:15][n:16][c:17]3[NH:18][CH2:19][c:20]3[cH:21][n:22][c:23]([O:26][CH3:27])[cH:24][cH:25]3)[CH2:28][CH2:29]2)[c:6]([C:7]#[N:8])[cH:9]1.[C:61]([O-:62])(=[O:63])[CH3:64].[C:66]([O-:67])(=[O:68])[CH3:69].[CH3:30][B:31]([OH:32])[OH:33].[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[CH:42]1([P:43]([CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]2)[CH:50]2[CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]2)[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]1.[K+:39].[K+:40].[K+:41].[OH2:70].[P:34]([O-:35])([O-:36])([O-:37])=[O:38].[Pd+2:65]>>[c:2]1([CH3:30])[cH:3][cH:4][c:5]([N:10]2[CH2:11][c:12]3[c:13]([n:14][cH:15][n:16][c:17]3[NH:18][CH2:19][c:20]3[cH:21][n:22][c:23]([O:26][CH3:27])[cH:24][cH:25]3)[CH2:28][CH2:29]2)[c:6]([C:7]#[N:8])[cH:9]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 1140TolueneHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 139377Methylboronic AcidHCID 250624105-Bromo-2-(4-((6-methoxypyridin-3-yl)methylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)benzonitrile

Product 1

HCID 250223552-(4-((6-Methoxypyridin-3-yl)methylamino)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)-5-methylbenzonitrile

Sources & evidence

ORD record
ord-fccfe2327ecc4194bdcb0521431306a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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