Potassium Cation → [4-(7,8-Dimethoxy-1-oxo-2,2a,4,5-tetrahydro-1H-3-aza-acenaphthylen-3-yl)-butyl]-carbamic acid tert-butyl ester

HRID 187937

Reaction equation

HRID 187937 reaction equation
[C:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31]([NH:32][CH2:33][CH2:34][CH2:35][CH2:36][Br:37])=[O:38].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:16]3[c:12]([c:13]1[O:14][CH3:15])[C:11](=[O:17])[CH2:10][CH:9]3[NH:8][CH2:7][CH2:6]2.[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[I-:24].[K+:18].[K+:19].[Na+:25].[O-:20][C:21]([O-:22])=[O:23].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:50]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:16]3[c:12]([c:13]1[O:14][CH3:15])[C:11](=[O:17])[CH2:10][CH:9]3[N:8]([CH2:36][CH2:35][CH2:34][CH2:33][NH:32][C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:38])[CH2:7][CH2:6]2

Participants

10

Reactant 9

HCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 30165Iodide IonHCID 10868765tert-butyl N-(4-bromobutyl)carbamateHCID 577290647,8-Dimethoxy-2a,3,4,5-tetrahydro-2H-3-aza-acenaphthylen-1-one

Product 1

HCID 57729072[4-(7,8-Dimethoxy-1-oxo-2,2a,4,5-tetrahydro-1H-3-aza-acenaphthylen-3-yl)-butyl]-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-5ac77705373f48b38d452ac6c2b085ff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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