HRID135057

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6386

tert-Butyl alcohol

C4H10O

HCID28123

Tetrahydroborate

H4B-

结构：CN(C)C=Nc1cc(=O)n(C2CC2)c(=O)n1-c1ccc(I)cc1F

HCID67024888

未命名化合物

PRODUCTS

生成物

结构：CNc1cc(=O)n(C2CC2)c(=O)n1-c1ccc(I)cc1F

HCID59717171

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

C14H13FIN3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2127847d97244c34b8a91599e216a440
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[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