Potassium Cation → ethyl (10R,15S)-3-oxo-1,4,12-triazatetracyclo[7.6.1.0,(1).0(1),(1)]hexadeca-5,7,9(16)-triene-12-carboxylate

HRID 2311079Notes

Reaction equation

HRID 2311079 reaction equation
[C:25](=[O:26])([O-:27])[O-:28].[CH3:31][NH:32][CH2:33][CH2:34][NH:35][CH3:36].[I-:24].[K+:29].[K+:30].[NH2:1][C:2]([CH2:3][N:4]1[CH:5]2[CH:6]([c:7]3[cH:8][cH:9][cH:10][c:11]([Br:13])[c:12]31)[CH2:14][N:15]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[CH2:16][CH2:17]2)=[O:23]>>[NH:1]1[C:2](=[O:23])[CH2:3][N:4]2[CH:5]3[CH:6]([c:7]4[cH:8][cH:9][cH:10][c:11]1[c:12]42)[CH2:14][N:15]([C:18](=[O:19])[O:20][CH2:21][CH3:22])[CH2:16][CH2:17]3

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 8070N,N'-DimethylethylenediamineHCID 19660Carbonate IonHCID 30165Iodide IonHCID 72254851ethyl (4aS,9bR)-6-bromo-5-(carbamoylmethyl)-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole-2-carboxylate

Product 1

HCID 22036762ethyl (10R,15S)-3-oxo-1,4,12-triazatetracyclo[7.6.1.0,(1).0(1),(1)]hexadeca-5,7,9(16)-triene-12-carboxylate

Sources & evidence

ORD record
ord-da9a85d3561e4154b96a1df4ad5b22b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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