HRID700223

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID12192

Ethyl diazoacetate

C4H6N2O2

HCID62406

未命名化合物

结构：Cn1c(C(F)(F)F)cc(=O)n(-c2cc(Oc3ccc[nH]c3=O)c(Cl)cc2F)c1=O

HCID11654910

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-b92b325fe03f4667bf9084ac96c218f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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