HRID2125936

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

结构：O=S(=O)(N(c1ccc(Cl)cn1)S(=O)(=O)C(F)(F)F)C(F)(F)F

HCID388544

N-(5-Chloropyridin-2-yl)-1,1,1-trifluoro-N-(trifluoromethanesulfonyl)methanesulfonamide

C7H3ClF6N2O4S2

HCID2734350

4-Ethoxycarbonylphenylboronic acid

C9H11BO4

HCID2777491

4-(trifluoromethyl)cyclohexanone

C7H9F3O

HCID3280088

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(C2=CCC(C(F)(F)F)CC2)cc1

HCID67159074

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7bc08cbabe34a108f802de6a3d77fd6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:44]([CH3:45])[O:46][C:47](=[O:48])[c:49]1[cH:50][cH:51][c:52]([B:55]([OH:56])[OH:57])[cH:53][cH:54]1.[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH3:12][Si:13]([N-:14][Si:15]([CH3:16])([CH3:17])[CH3:18])([CH3:19])[CH3:20].[CH3:69][C:70]#[N:71].[F:1][C:2]([CH:3]1[CH2:4][CH2:5][C:6](=[O:9])[CH2:7][CH2:8]1)([F:10])[F:11].[F:22][C:23]([F:24])([F:25])[S:26]([N:27]([c:28]1[cH:29][cH:30][c:31]([Cl:32])[cH:33][n:34]1)[S:35]([C:36]([F:37])([F:38])[F:39])(=[O:40])=[O:41])(=[O:42])=[O:43].[Li+:21].[Na+:58].[Na+:59].[O-:60][C:61](=[O:62])[O-:63]>>[F:1][C:2]([CH:3]1[CH2:4][CH:5]=[C:6]([c:52]2[cH:51][cH:50][c:49]([C:47]([O:46][CH2:44][CH3:45])=[O:48])[cH:54][cH:53]2)[CH2:7][CH2:8]1)([F:10])[F:11]