Acetate → N-[3-(2-anilino-4-pyrimidinyl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-N-cyclopentylamine

HRID 1573132Notes

Reaction equation

HRID 1573132 reaction equation
[C:31](=[O:32])([O-:33])[O-:34].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[CH:44]1([NH2:49])[CH2:45][CH2:46][CH2:47][CH2:48]1.[Cl:1][c:2]1[cH:3][c:4]2[n:5]([cH:6][cH:7]1)[n:8][c:9](-[c:24]1[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]1)[c:10]2-[c:11]1[n:12][c:13]([NH:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[n:14][cH:15][cH:16]1.[Cs+:35].[Cs+:36].[O-:51][C:52]([CH3:53])=[O:54].[O-:55][C:56]([CH3:57])=[O:58].[OH2:43].[Pd+2:50]>>[c:2]1([NH:49][CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48]2)[cH:3][c:4]2[n:5]([cH:6][cH:7]1)[n:8][c:9](-[c:24]1[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]1)[c:10]2-[c:11]1[n:12][c:13]([NH:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]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 112470274-[5-chloro-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-phenyl-2-pyrimidinamine

Product 1

HCID 22350049N-[3-(2-anilino-4-pyrimidinyl)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-N-cyclopentylamine

Sources & evidence

ORD record
ord-4fd3130ff4c64cf9bd7f5874f9d63b16
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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