Acetate → (2-{4,4-Dimethyl-9-oxo-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-10-yl}-4-fluoro-6-(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)phenyl)methyl Acetate

Participants

Role	Name	HCID	Charge
Reactant	Acetate	HCID 175	—
Reactant	Sodium ion	HCID 923	—
Reactant	Acetonitrile	HCID 6342	—
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	—
Reactant	(2-{4,4-Dimethyl-9-oxo-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-10-yl}-4-fluoro-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methyl Acetate	HCID 67016224	—
Product	(2-{4,4-Dimethyl-9-oxo-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-10-yl}-4-fluoro-6-(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)phenyl)methyl Acetate	HCID 58043643	—

DOI	10.1039/C8SC04228D
Source dataset	Training data from https://doi.org/10.1039/C8SC04228D (5/10)
ORD ID	ord-eba3a2b5e0044d7baffc54a911e49ca1
Source note	Training data from https://doi.org/10.1039/C8SC04228D (5/10)