HRID1129114

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID8053

3-Methylbutyl nitrite

C5H11NO2

HCID24014

未命名化合物

HCID62652

未命名化合物

结构：CCOC(=O)COc1ncccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1N

HCID18619154

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1ncccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

HCID12097345

3-[2-Chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]phenoxy]-2-((ethoxycarbonyl)methoxy)pyridine

C21H16ClF4N3O6

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8c968a4422e4788b173e3dc0de0a00c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:1][CH:2]([CH2:3][CH2:4][O:5][N:6]=[O:7])[CH3:8].[CH3:45][C:46]#[N:47].[Cl:48][Cu:49].[Cl:50][Cu:51][Cl:52].[ClH:44].[NH2:9][c:10]1[c:11]([O:12][c:13]2[c:14]([O:19][CH2:20][C:21](=[O:22])[O:23][CH2:24][CH3:25])[n:15][cH:16][cH:17][cH:18]2)[cH:26][c:27](-[n:31]2[c:32](=[O:43])[n:33]([CH3:42])[c:34]([C:38]([F:39])([F:40])[F:41])[cH:35][c:36]2=[O:37])[c:28]([F:30])[cH:29]1>>[c:10]1([Cl:44])[c:11]([O:12][c:13]2[c:14]([O:19][CH2:20][C:21](=[O:22])[O:23][CH2:24][CH3:25])[n:15][cH:16][cH:17][cH:18]2)[cH:26][c:27](-[n:31]2[c:32](=[O:43])[n:33]([CH3:42])[c:34]([C:38]([F:39])([F:40])[F:41])[cH:35][c:36]2=[O:37])[c:28]([F:30])[cH:29]1