Sodium ion → Dimethylethyl 5-[5,6-dihydro-5-oxo-pyrido[2',1':2,3]imidazo[4,5-c]isoquinolin-6-yl]-alpha-cyano-2-pyridineacetate

HRID 162170

Reaction equation

HRID 162170 reaction equation
[Br:13][c:14]1[cH:15][cH:16][c:17](-[n:20]2[c:21](=[O:37])[c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]3[c:28]3[c:29]2[n:30]2[c:31]([n:32]3)[cH:33][cH:34][cH:35][cH:36]2)[cH:18][n:19]1.[C:3](#[N:4])[CH2:5][C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12].[H-:1].[Na+:2].[cH:38]1[cH:39][cH:40][n:41][cH:42][cH:43]1>>[C:3](#[N:4])[CH:5]([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[c:14]1[cH:15][cH:16][c:17](-[n:20]2[c:21](=[O:37])[c:22]3[cH:23][cH:24][cH:25][cH:26][c:27]3[c:28]3[c:29]2[n:30]2[c:31]([n:32]3)[cH:33][cH:34][cH:35][cH:36]2)[cH:18][n:19]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 1049PyridineHCID 70693tert-Butyl cyanoacetateHCID 166653HydrideHCID 247710936-(6-bromo-pyridin-3-yl)-pyrido-[2',1':2,3]imidazo[4,5-c]isoquinolin-5(6H)-one

Product 1

HCID 57767017Dimethylethyl 5-[5,6-dihydro-5-oxo-pyrido[2',1':2,3]imidazo[4,5-c]isoquinolin-6-yl]-alpha-cyano-2-pyridineacetate

Sources & evidence

ORD record
ord-0d993506054c4f0f8ffed3f320bff50b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

Loading…