HRID87450

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID31275

1,4-Dioxane

C4H8O2

HCID77637

Cyclopropanecarbonyl chloride

C4H5ClO

结构：COc1c(Cl)cc(F)c(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c1NN

HCID86585907

未命名化合物

PRODUCTS

生成物

结构：COc1c(Cl)cc(F)c(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c1NNC(=O)C1CC1

HCID86585908

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b70ece3eb6344f28404dfeb31d3d922
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

[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH:26]1([C:29](=[O:30])[Cl:31])[CH2:27][CH2:28]1.[Cl:1][c:2]1[c:3]([O:24][CH3:25])[c:4]([NH:22][NH2:23])[c:5](-[n:9]2[c:10](=[O:21])[n:11]([CH3:20])[c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][c:14]2=[O:15])[c:6]([F:8])[cH:7]1.[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[OH2:39]>>[Cl:1][c:2]1[c:3]([O:24][CH3:25])[c:4]([NH:22][NH:23][C:29]([CH:26]2[CH2:27][CH2:28]2)=[O:30])[c:5](-[n:9]2[c:10](=[O:21])[n:11]([CH3:20])[c:12]([C:16]([F:17])([F:18])[F:19])[cH:13][c:14]2=[O:15])[c:6]([F:8])[cH:7]1