Sodium ion → N1-{4-[4-amino-1-(4-hydroxy-2-cyclopentenyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}-2-fluoro-4-trifluoromethylbenzamide

Participants

Role	Name	HCID	Charge
Reactant	Sodium ion	HCID 923	—
Reactant	Water	HCID 962	—
Reactant	1,2-Dimethoxyethane	HCID 8071	—
Reactant	Carbonate Ion	HCID 19660	—
Reactant	4-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-2-cyclopenten-1-ol	HCID 22347318	—
Reactant	N1-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-fluoro-4-(trifluoromethyl)benzamide	HCID 22347319	—
Product	N1-{4-[4-amino-1-(4-hydroxy-2-cyclopentenyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}-2-fluoro-4-trifluoromethylbenzamide	HCID 22347104	—

DOI	10.1039/C8SC04228D
Source dataset	Training data from https://doi.org/10.1039/C8SC04228D (1/10)
ORD ID	ord-5ef113b13a9e4613ab11b4dad038697d
Source note	Training data from https://doi.org/10.1039/C8SC04228D (1/10)