Hydrochloric Acid → 6-(2-Fluoro-4-iodo-phenylamino)-5-(3-hydroxy-azetidine-1-carbonyl)-1,3-dimethyl-1H-pyrimidine-2,4-dione

Reaction equation

[ClH:29].[F:1][c:2]1[c:3]([NH:9][c:10]2[c:11]([C:20](=[O:21])[O:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:12](=[O:19])[n:13]([CH3:18])[c:14](=[O:17])[n:15]2[CH3:16])[cH:4][cH:5][c:6]([I:8])[cH:7]1.[OH:30][CH:31]1[CH2:32][NH:33][CH2:34]1>>[F:1][c:2]1[c:3]([NH:9][c:10]2[c:11]([C:20](=[O:21])[N:33]3[CH2:32][CH:31]([OH:30])[CH2:34]3)[c:12](=[O:19])[n:13]([CH3:18])[c:14](=[O:17])[n:15]2[CH3:16])[cH:4][cH:5][c:6]([I:8])[cH:7]1

Participants

Reactant 3

HCID 313Hydrochloric Acid

HCID 15142903-Hydroxyazetidine

HCID 59259226Phenyl 6-(2-fluoro-4-iodophenylamino)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Product 1

HCID 251092196-(2-Fluoro-4-iodo-phenylamino)-5-(3-hydroxy-azetidine-1-carbonyl)-1,3-dimethyl-1H-pyrimidine-2,4-dione

Sources & evidence

ORD record: ord-1417a20d15fe4b94b8ac8d85939914e6
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…