Ammonium → 9-Cyano-5-methoxycarbonylmethyl-6,7-dihydro-1H, 5H-pyrido[1,2,3-de]quinoxaline-2,3-dione

HRID 105183

Reaction equation

HRID 105183 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]3[n:6]([c:7](=[O:13])[c:8](=[O:12])[nH:9][c:10]3[cH:11]1)[CH:14]([CH2:17][C:18](=[O:19])[O:20][CH3:21])[CH2:15][CH2:16]2.[C-:22]#[N:23].[CH3:26][S:27](=[O:28])[CH3:29].[Cl-:24].[NH4+:25]>>[c:2]1([C:22]#[N:23])[cH:3][c:4]2[c:5]3[n:6]([c:7](=[O:13])[c:8](=[O:12])[nH:9][c:10]3[cH:11]1)[CH:14]([CH2:17][C:18](=[O:19])[O:20][CH3:21])[CH2:15][CH2:16]2

Participants

6

Reactant 5

HCID 223AmmoniumHCID 312ChlorideHCID 679Dimethyl SulfoxideHCID 5975CyanideHCID 10066635Methyl 2-(9-bromo-2,3-dioxo-2,3,6,7-tetrahydro-1H,5H-pyrido[1,2,3-de]quinoxalin-5-yl)acetate

Product 1

HCID 542872669-Cyano-5-methoxycarbonylmethyl-6,7-dihydro-1H, 5H-pyrido[1,2,3-de]quinoxaline-2,3-dione

Sources & evidence

ORD record
ord-64648c37ca52439799ecc13408cb5313
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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