2-(7-Amino-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1-(4-methyl-piperazin-1-yl)-ethanone → 3-[[5-chloro-2-[[7-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,2,4,5-tetrahydro-3-benzazepin-8-yl]amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide

Participants

Role	Name	HCID	Charge
Reactant	2-(7-Amino-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1-(4-methyl-piperazin-1-yl)-ethanone	HCID 67263667	—
Reactant	3-(2,5-Dichloro-pyrimidin-4-ylamino)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid amide	HCID 76446949	—
Product	3-[[5-chloro-2-[[7-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,2,4,5-tetrahydro-3-benzazepin-8-yl]amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide	HCID 178486451	—

DOI	10.1039/C8SC04228D
Source dataset	Training data from https://doi.org/10.1039/C8SC04228D (2/10)
ORD ID	ord-63b37c90629a494b9c630b3f0d5103c9
Source note	Training data from https://doi.org/10.1039/C8SC04228D (2/10)