Acetate → [2-(1-Methyl-5-{[5-(oxetan-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)-6-{1-oxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrazino[1,2-a]indol-2-yl}phenyl]methyl Acetate

Participants

Role	Name	HCID	Charge
Reactant	Acetate	HCID 175	—
Reactant	Sodium ion	HCID 923	—
Reactant	Acetonitrile	HCID 6342	—
Reactant	2-(2-(Acetoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1(2H)-one	HCID 58043877	—
Reactant	5-bromo-1-methyl-3-(5-(oxetan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylamino)pyridin-2(1H)-one	HCID 58044169	—
Product	[2-(1-Methyl-5-{[5-(oxetan-3-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)-6-{1-oxo-1H,2H,3H,4H,6H,7H,8H,9H-pyrazino[1,2-a]indol-2-yl}phenyl]methyl Acetate	HCID 58043838	—

DOI	10.1039/C8SC04228D
Source dataset	Training data from https://doi.org/10.1039/C8SC04228D (9/10)
ORD ID	ord-27c9dcde707d494988afd0038ff84172
Source note	Training data from https://doi.org/10.1039/C8SC04228D (9/10)