Citric Acid → 3-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-6-(methylamino)-2,4(1H,3H)-pyrimidinedione

HRID 135057Notes

Reaction equation

HRID 135057 reaction equation
[BH4-:9].[C:4]([OH:5])([CH3:6])([CH3:7])[CH3:8].[CH2:1]([OH:2])[CH3:3].[CH:11]1([n:14]2[c:15](=[O:34])[n:16](-[c:26]3[c:27]([F:33])[cH:28][c:29]([I:32])[cH:30][cH:31]3)[c:17]([N:21]=[CH:22][N:23]([CH3:24])[CH3:25])[cH:18][c:19]2=[O:20])[CH2:12][CH2:13]1.[Na+:10].[OH2:48].[OH:35][C:36]([CH2:37][C:38]([C:39](=[O:40])[OH:41])([CH2:42][C:43](=[O:44])[OH:45])[OH:46])=[O:47]>>[CH:11]1([n:14]2[c:15](=[O:34])[n:16](-[c:26]3[c:27]([F:33])[cH:28][c:29]([I:32])[cH:30][cH:31]3)[c:17]([NH:21][CH3:22])[cH:18][c:19]2=[O:20])[CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 311Citric AcidHCID 702EthanolHCID 923Sodium ionHCID 962WaterHCID 6386tert-ButanolHCID 28123BorohydrideHCID 67024888(E)-N'-(1-Cyclopropyl-3-(2-fluoro-4-iodophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N,N-dimethylformimidamide

Product 1

HCID 597171713-Cyclopropyl-1-(2-fluoro-4-iodophenyl)-6-(methylamino)-2,4(1H,3H)-pyrimidinedione

Sources & evidence

ORD record
ord-2127847d97244c34b8a91599e216a440
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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