Hydrochloric Acid → 5-(4-bromo-2-fluoroanilino)-8-fluoro-N-(2-hydroxypropoxy)imidazo[1,5-a]pyridine-6-carboxamide

HRID 2143894Notes

Reaction equation

HRID 2143894 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]([F:23])[c:8]2[n:9]([c:10]1[NH:11][c:12]1[c:13]([F:19])[cH:14][c:15]([Br:18])[cH:16][cH:17]1)[cH:20][n:21][cH:22]2.[CH3:26][CH2:27][N:28]=[C:29]=[N:30][CH2:31][CH2:32][CH2:33][N:34]([CH3:35])[CH3:36].[CH:54]([N:55]([CH2:56][CH3:57])[CH:58]([CH3:59])[CH3:60])([CH3:61])[CH3:62].[ClH:47].[NH2:48][O:49][CH2:50][CH:51]([CH3:52])[OH:53].[Na+:25].[OH-:24].[OH:37][n:38]1[c:39]2[c:40]([cH:41][cH:42][cH:43][cH:44]2)[n:45][n:46]1>>[C:3](=[O:4])([c:5]1[cH:6][c:7]([F:23])[c:8]2[n:9]([c:10]1[NH:11][c:12]1[c:13]([F:19])[cH:14][c:15]([Br:18])[cH:16][cH:17]1)[cH:20][n:21][cH:22]2)[NH:48][O:49][CH2:50][CH:51]([CH3:52])[OH:53]

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 198387811-(Aminooxy)propan-2-olHCID 591401675-(4-Bromo-2-fluoro-phenylamino)-8-fluoro-imidazo[1,5-a]pyridine-6-carboxylic acid methyl ester

Product 1

HCID 725268935-(4-bromo-2-fluoroanilino)-8-fluoro-N-(2-hydroxypropoxy)imidazo[1,5-a]pyridine-6-carboxamide

Sources & evidence

ORD record
ord-729c5d6fe8e345f483cb70931ef63159
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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