Acetate → 4-(1-(6-fluoro-5-(2-methyl-9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)pyridin-3-yl)ethyl)morpholine

HRID 200332Notes

Reaction equation

HRID 200332 reaction equation
[CH2:53]1[O:54][CH2:55][CH2:56][O:57][CH2:58]1.[CH3:43][C:44](=[O:45])[O-:46].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[CH:60]([OH:61])([CH3:62])[CH3:63].[Cl:25][c:26]1[c:27]2[n:28][cH:29][n:30]([CH:36]3[O:37][CH2:38][CH2:39][CH2:40][CH2:41]3)[c:31]2[n:32][c:33]([CH3:35])[n:34]1.[Cl:64][CH:65]([Cl:66])[Cl:67].[F:1][c:2]1[c:3]([B:16]2[O:17][C:18]([CH3:19])([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24]2)[cH:4][c:5]([CH:8]([CH3:9])[N:10]2[CH2:11][CH2:12][O:13][CH2:14][CH2:15]2)[cH:6][n:7]1.[K+:42].[OH2:59]>>[F:1][c:2]1[c:3](-[c:26]2[c:27]3[n:28][cH:29][n:30]([CH:36]4[O:37][CH2:38][CH2:39][CH2:40][CH2:41]4)[c:31]3[n:32][c:33]([CH3:35])[n:34]2)[cH:4][c:5]([CH:8]([CH3:9])[N:10]2[CH2:11][CH2:12][O:13][CH2:14][CH2:15]2)[cH:6][n:7]1

Participants

10

Reactant 9

HCID 175AcetateHCID 813Potassium CationHCID 962WaterHCID 3776IsopropanolHCID 6212ChloroformHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 595482686-chloro-2-methyl-9-(tetrahydro-2H-pyran-2-yl)-9H-purineHCID 666111244-(1-(6-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)ethyl)morpholine

Product 1

HCID 665998534-(1-(6-fluoro-5-(2-methyl-9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-yl)pyridin-3-yl)ethyl)morpholine

Sources & evidence

ORD record
ord-8f17308a2bc64d1da9d50f44c690484e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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