Acetate → N-[4-(4-amino-2-butyl-6,7-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl)butyl]-4-[[2-(dimethylamino)ethoxy](phenyl)methyl]benzamide

HRID 2332864Notes

Reaction equation

HRID 2332864 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:23][CH2:24][CH2:25][CH2:26][NH:27][C:28]([c:29]2[cH:30][cH:31][c:32]([CH:35]([c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[O:42][CH2:43][CH2:44][N:45]([CH3:46])[CH3:47])[cH:33][cH:34]2)=[O:48])[c:7]2[c:8]([c:9]([O:15][c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[n:10][c:11]([CH3:14])[c:12]2[CH3:13])[n:22]1.[CH3:50][C:51](=[O:52])[O-:53].[NH4+:49].[Na+:55].[OH-:54].[OH2:56]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:23][CH2:24][CH2:25][CH2:26][NH:27][C:28]([c:29]2[cH:30][cH:31][c:32]([CH:35]([c:36]3[cH:37][cH:38][cH:39][cH:40][cH:41]3)[O:42][CH2:43][CH2:44][N:45]([CH3:46])[CH3:47])[cH:33][cH:34]2)=[O:48])[c:7]2[c:8]([c:9]([NH2:49])[n:10][c:11]([CH3:14])[c:12]2[CH3:13])[n:22]1

Participants

7

Reactant 6

HCID 175AcetateHCID 223AmmoniumHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 12109134HCID 12109134, compound

Product 1

HCID 10218514N-[4-(4-amino-2-butyl-6,7-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl)butyl]-4-[[2-(dimethylamino)ethoxy](phenyl)methyl]benzamide

Sources & evidence

ORD record
ord-624c1fd66ff5464bbe044c1cfe133058
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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