HRID89788

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

3 次

HCID7237

o-Xylene

C8H10

HCID30165

Iodide ion

I-

HCID66180

Diphenylphosphinous chloride

C12H10ClP

HCID104748

Sulfurous acid, ion(1-)

HO3S-

HCID166653

Hydride

H-

结构：CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1CO

HCID9819937

N-[4-(4-Fluorophenyl)-5-(hydroxymethyl)-6-(propan-2-yl)pyrimidin-2-yl]-N-methylmethanesulfonamide

C16H20FN3O3S

PRODUCTS

生成物

结构：CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1CP(=O)(c1ccccc1)c1ccccc1

HCID9937035

N-{5-[(Diphenylphosphoryl)methyl]-4-(4-fluorophenyl)-6-(propan-2-yl)pyrimidin-2-yl}-N-methylmethanesulfonamide

C28H29FN3O3PS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ae6e1e6db8f4b868ec44d649b4d31e5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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