HRID2344409

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID15458

tert-Butyl acrylate

C7H12O2

HCID24210

N-Cyclohexyl-N-methylcyclohexanamine

C13H25N

HCID31275

1,4-Dioxane

C4H8O2

结构：CCN1C(=O)CC(C)(C)c2cc(C)c(-c3ccc(Br)cc3OC(F)(F)F)cc21

HCID68665634

未命名化合物

PRODUCTS

生成物

结构：CCN1C(=O)CC(C)(C)c2cc(C)c(-c3ccc(C=CC(=O)OC(C)(C)C)cc3OC(F)(F)F)cc21

HCID68666445

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf6c425e086a44059fa6e1e113533264
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

[Br:10][c:11]1[cH:12][c:13]([O:33][C:34]([F:35])([F:36])[F:37])[c:14](-[c:17]2[c:18]([CH3:32])[cH:19][c:20]3[c:25]([cH:26]2)[N:24]([CH2:27][CH3:28])[C:23](=[O:29])[CH2:22][C:21]3([CH3:30])[CH3:31])[cH:15][cH:16]1.[C:1]([CH:2]=[CH2:3])(=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9].[CH:38]1([N:39]([CH:40]2[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2)[CH3:46])[CH2:47][CH2:48][CH2:49][CH2:50][CH2:51]1.[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1.[OH2:52]>>[C:1]([CH:2]=[CH:3][c:11]1[cH:12][c:13]([O:33][C:34]([F:35])([F:36])[F:37])[c:14](-[c:17]2[c:18]([CH3:32])[cH:19][c:20]3[c:25]([cH:26]2)[N:24]([CH2:27][CH3:28])[C:23](=[O:29])[CH2:22][C:21]3([CH3:30])[CH3:31])[cH:15][cH:16]1)(=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9]