Methanol → N-(2-{4-amino-2-(ethoxymethyl)-7-[(3-thien-2-ylprop-2-ynyl)oxy]-1H-imidazo[4,5-c]quinolin-1-yl}-1,1-dimethylethyl)methanesulfonamide

HRID 2323217Notes

Reaction equation

HRID 2323217 reaction equation
[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:96][OH:97].[Cl:50][CH2:51][Cl:52].[Cu:94][I:95].[I:32][c:33]1[s:34][cH:35][cH:36][cH:37]1.[NH2:1][c:2]1[n:3][c:4]2[cH:5][c:6]([O:28][CH2:29][C:30]#[CH:31])[cH:7][cH:8][c:9]2[c:10]2[c:11]1[n:12][c:13]([CH2:24][O:25][CH2:26][CH3:27])[n:14]2[CH2:15][C:16]([CH3:17])([CH3:18])[NH:19][S:20](=[O:21])(=[O:22])[CH3:23].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:98].[Pd:53]([Cl:54])[Cl:55].[c:56]1([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71][cH:72][cH:73][cH:74]1.[c:75]1([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[cH:89][cH:90][cH:91][cH:92][cH:93]1>>[NH2:1][c:2]1[n:3][c:4]2[cH:5][c:6]([O:28][CH2:29][C:30]#[C:31][c:33]3[s:34][cH:35][cH:36][cH:37]3)[cH:7][cH:8][c:9]2[c:10]2[c:11]1[n:12][c:13]([CH2:24][O:25][CH2:26][CH3:27])[n:14]2[CH2:15][C:16]([CH3:17])([CH3:18])[NH:19][S:20](=[O:21])(=[O:22])[CH3:23]

Participants

11

Reactant 10

HCID 887MethanolHCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 11776Triphenylphosphine2×HCID 189212-IodothiopheneHCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 86626178N-{2-[4-amino-2-(ethoxymethyl)-7-(prop-2-ynyloxy)-1H-imidazo[4,5-c]quinolin-1-yl]-1,1-dimethylethyl}methanesulfonamide

Product 1

HCID 67051119N-(2-{4-amino-2-(ethoxymethyl)-7-[(3-thien-2-ylprop-2-ynyl)oxy]-1H-imidazo[4,5-c]quinolin-1-yl}-1,1-dimethylethyl)methanesulfonamide

Sources & evidence

ORD record
ord-d318109079cc44518bc9a02c19c8568c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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