Ethyl Acetate → 9-Ethyl-2-(3-hydroxy-propyl-amino)-6-(3-trifluoromethyl-phenyl-amino)-9H-purine

HRID 178859Notes

Reaction equation

HRID 178859 reaction equation
[CH3:29][CH2:30][O:31][C:32](=[O:33])[CH3:34].[Cl:1][c:2]1[n:3][c:4]([NH:13][c:14]2[cH:15][c:16]([C:20]([F:21])([F:22])[F:23])[cH:17][cH:18][cH:19]2)[c:5]2[n:6][cH:7][n:8]([CH2:11][CH3:12])[c:9]2[n:10]1.[NH2:24][CH2:25][CH2:26][CH2:27][OH:28]>>[c:2]1([NH:24][CH2:25][CH2:26][CH2:27][OH:28])[n:3][c:4]([NH:13][c:14]2[cH:15][c:16]([C:20]([F:21])([F:22])[F:23])[cH:17][cH:18][cH:19]2)[c:5]2[n:6][cH:7][n:8]([CH2:11][CH3:12])[c:9]2[n:10]1

Participants

4

Reactant 3

HCID 8857Ethyl AcetateHCID 90863-Amino-1-propanolHCID 219881872-chloro-9-ethyl-6-(3-trifluoromethyl-phenyl-amino)-9H-purine

Product 1

HCID 219882069-Ethyl-2-(3-hydroxy-propyl-amino)-6-(3-trifluoromethyl-phenyl-amino)-9H-purine

Sources & evidence

ORD record
ord-36415127bad2435ab7401003b3bc9d6c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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