Bromide ion → 1-[4-amino-2-ethoxymethyl-7-(1-methyl-1H-imidazol-2-ylmethoxy)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

HRID 2345496Notes

Reaction equation

HRID 2345496 reaction equation
[Br-:47].[C:25](=[O:26])([O-:27])[O-:28].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:48][CH2:49][CH2:50][CH2:51][N+:52]([CH2:53][CH2:54][CH2:55][CH3:56])([CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH2:63][CH3:64].[Cl:31][CH2:32][c:33]1[n:34]([CH3:38])[cH:35][cH:36][n:37]1.[ClH:39].[Cs+:29].[Cs+:30].[NH2:1][c:2]1[n:3][c:4]2[cH:5][c:6]([OH:24])[cH:7][cH:8][c:9]2[c:10]2[c:11]1[n:12][c:13]([CH2:20][O:21][CH2:22][CH3:23])[n:14]2[CH2:15][C:16]([CH3:17])([CH3:18])[OH:19].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69]>>[NH2:1][c:2]1[n:3][c:4]2[cH:5][c:6]([O:24][CH2:32][c:33]3[n:34]([CH3:38])[cH:35][cH:36][n:37]3)[cH:7][cH:8][c:9]2[c:10]2[c:11]1[n:12][c:13]([CH2:20][O:21][CH2:22][CH3:23])[n:14]2[CH2:15][C:16]([CH3:17])([CH3:18])[OH:19]

Participants

10

Reactant 9

HCID 259Bromide ionHCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 7365362-(chloromethyl)-1-methyl-1H-imidazoleHCID 1363405384-amino-2-ethoxymethyl-1-(2-hydroxy-2-methylpropyl)-1H-imidazo[4,5-c]quinolin-7-ol

Product 1

HCID 575452951-[4-amino-2-ethoxymethyl-7-(1-methyl-1H-imidazol-2-ylmethoxy)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

Sources & evidence

ORD record
ord-bbcb3233dfea45aa961d67c1b4f0a0b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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