HRID91034

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID15458

tert-Butyl acrylate

C7H12O2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)N1CCc2cc(COc3ccc(Cl)c(C(F)(F)F)c3)ccc2C1

HCID69146288

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CCN1CCc2cc(COc3ccc(Cl)c(C(F)(F)F)c3)ccc2C1

HCID69174089

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aee23708678645cbad6569f7307cd1e7
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

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