HRID2328863

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID15458

tert-Butyl acrylate

C7H12O2

结构：CC(C)(C)OC(=O)N1CCC(c2ccc(OCc3ccc(Cl)c(C(F)(F)F)c3)cc2)CC1

HCID68813008

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)CCN1CCC(c2ccc(OCc3ccc(Cl)c(C(F)(F)F)c3)cc2)CC1

HCID68813022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da241a40de4d474d9b151940e7b4312b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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