Hydrochloric Acid → N,N-Dimethyl-4-[5-fluoro-3-[4-(2-methylimidazol-1-yl)benzyloxy]phenyl]-3,4,5,6-tetrahydro-2H-pyran-4-carboxamide

HRID 88799Notes

Reaction equation

HRID 88799 reaction equation
[C:42]([P:43](=[O:44])([O:45][CH2:46][CH3:47])[O:48][CH2:49][CH3:50])#[N:51].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:32][NH:33][CH3:34].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[ClH:31].[F:1][c:2]1[cH:3][c:4]([O:17][CH2:18][c:19]2[cH:20][cH:21][c:22](-[n:25]3[c:26]([CH3:30])[n:27][cH:28][cH:29]3)[cH:23][cH:24]2)[cH:5][c:6]([C:8]2([C:14](=[O:15])[OH:16])[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[cH:7]1.[OH2:57]>>[F:1][c:2]1[cH:3][c:4]([O:17][CH2:18][c:19]2[cH:20][cH:21][c:22](-[n:25]3[c:26]([CH3:30])[n:27][cH:28][cH:29]3)[cH:23][cH:24]2)[cH:5][c:6]([C:8]2([C:14](=[O:15])[N:33]([CH3:32])[CH3:34])[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[cH:7]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 674DimethylamineHCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 76257Diethyl cyanophosphonateHCID 113158374-(3-Fluoro-5-((4-(2-methyl-1H-imidazol-1-YL)benzyl)oxy)phenyl)tetrahydro-2H-pyran-4-carboxylic acid

Product 1

HCID 11774961N,N-Dimethyl-4-[5-fluoro-3-[4-(2-methylimidazol-1-yl)benzyloxy]phenyl]-3,4,5,6-tetrahydro-2H-pyran-4-carboxamide

Sources & evidence

ORD record
ord-5baee22271b74912973e119a9a5b38a1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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