Tetrahydrofuran → Gemlapodect

HRID 115237Notes

Reaction equation

HRID 115237 reaction equation
[CH2:28]1[CH2:29][O:30][CH2:31][CH2:32][NH:33]1.[CH2:34]([P:35]([OH:36])([OH:37])=[O:38])[CH2:39][CH3:40].[CH3:1][n:2]1[n:3][cH:4][c:5]([C:25](=[O:26])[OH:27])[c:6]1[C:7]([NH:8][c:9]1[cH:10][c:11]2[n:12]([cH:13][cH:14]1)[n:15][c:16](-[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[n:17]2)=[O:24].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1>>[CH3:1][n:2]1[n:3][cH:4][c:5]([C:25](=[O:26])[N:33]2[CH2:28][CH2:29][O:30][CH2:31][CH2:32]2)[c:6]1[C:7]([NH:8][c:9]1[cH:10][c:11]2[n:12]([cH:13][cH:14]1)[n:15][c:16](-[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[n:17]2)=[O:24]

Participants

6

Reactant 5

HCID 8028TetrahydrofuranHCID 8083MorpholineHCID 8857Ethyl AcetateHCID 204484Propylphosphonic acidHCID 573789541-methyl-5-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid

Product 1

HCID 57377410Gemlapodect

Sources & evidence

ORD record
ord-3ba2bfae0dfc431e9d8dbe44427c8c99
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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