Potassium Cation → 4,10-dimethoxy-11-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carbonitrile

Reaction equation

[C:28](=[O:29])([O-:30])[O-:31].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:15]([cH:16]1)[C:14]13[C:9]([O:23][CH3:24])([CH:8]([CH2:7]2)[N:19]([CH3:20])[CH2:18][CH2:17]1)[CH:10]([CH3:22])[CH2:11][C:12](=[O:21])[CH2:13]3.[K+:32].[K+:33].[N:25]#[C:26][Br:27]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:15]([cH:16]1)[C:14]13[C:9]([O:23][CH3:24])([CH:8]([CH2:7]2)[N:19]([C:20]#[N:25])[CH2:18][CH2:17]1)[CH:10]([CH3:22])[CH2:11][C:12](=[O:21])[CH2:13]3

Participants

Reactant 4

HCID 813Potassium Cation2×

HCID 10476Cyanogen Bromide

HCID 19660Carbonate Ion

HCID 178487010HCID 178487010, compound

Product 1

HCID 1784870174,10-dimethoxy-11-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carbonitrile

Sources & evidence

ORD record: ord-86da262decec49e491042998b23b8f17
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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