Potassium Cation → 1-{2-[(3-phenyl-2-propynyl)oxy]ethyl}-1H-imidazo[4,5-c]quinolin-4-amine

HRID 1125115Notes

Reaction equation

HRID 1125115 reaction equation
[C:21](=[O:22])([O-:23])[O-:24].[C:85](#[N:86])[CH3:87].[CH2:1]([C:2]#[CH:3])[O:4][CH2:5][CH2:6][n:7]1[cH:8][n:9][c:10]2[c:11]([NH2:20])[n:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[c:19]12.[CH3:88][N:89]([CH3:90])[CH:91]=[O:92].[Cu:82][I:83].[I:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[K+:25].[K+:26].[OH2:84].[OH:34][C:35]([C:36]([F:37])([F:38])[F:39])=[O:40].[Pd:41]([Cl:42])[Cl:43].[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1.[c:63]1([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78][cH:79][cH:80][cH:81]1>>[CH2:1]([C:2]#[C:3][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[O:4][CH2:5][CH2:6][n:7]1[cH:8][n:9][c:10]2[c:11]([NH2:20])[n:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]3[c:19]12

Participants

12

Reactant 11

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 11575IodobenzeneHCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 98566101-[2-(2-propynyloxy)ethyl)-1H-imidazo[4,5-c]quinolin-4-amine

Product 1

HCID 121142111-{2-[(3-phenyl-2-propynyl)oxy]ethyl}-1H-imidazo[4,5-c]quinolin-4-amine

Sources & evidence

ORD record
ord-1cecb61799f643928865a9e28deecfa1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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