Acetate → N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyrimidinyl]-2-(4-fluorophenyl)-pyrazolo[1,5-a]pyridin-5-amine

HRID 1551722Notes

Reaction equation

HRID 1551722 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH:43]1([NH2:48])[CH2:44][CH2:45][CH2:46][CH2:47]1.[Cl:1][c:2]1[cH:3][c:4]2[n:5]([cH:6][cH:7]1)[n:8][c:9](-[c:23]1[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]1)[c:10]2-[c:11]1[n:12][c:13]([NH:17][CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[n:14][cH:15][cH:16]1.[Cs+:34].[Cs+:35].[O-:50][C:51]([CH3:52])=[O:53].[O-:54][C:55]([CH3:56])=[O:57].[OH2:42].[Pd+2:49]>>[c:2]1([NH:48][CH:43]2[CH2:44][CH2:45][CH2:46][CH2:47]2)[cH:3][c:4]2[n:5]([cH:6][cH:7]1)[n:8][c:9](-[c:23]1[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]1)[c:10]2-[c:11]1[n:12][c:13]([NH:17][CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[n:14][cH:15][cH:16]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 962WaterHCID 2906CyclopentylamineHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 102231334-[5-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentyl-2-pyrimidinamine

Product 1

HCID 10276099N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyrimidinyl]-2-(4-fluorophenyl)-pyrazolo[1,5-a]pyridin-5-amine

Sources & evidence

ORD record
ord-05f8ee85501b489d9fd59e6a59fbca21
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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