HRID203256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID138823

Cyclopropylacetylene

C5H6

HCID3280088

未命名化合物

结构：CC12CCC(C(=O)Nc3ccc(Cl)cc3C(=O)C(F)(F)F)(OC1=O)C2(C)C

HCID50916661

未命名化合物

PRODUCTS

生成物

结构：CC12CCC(C(=O)Nc3ccc(Cl)cc3C(O)(C#CC3CC3)C(F)(F)F)(OC1=O)C2(C)C

HCID178421235

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-541cfdd56449439da9769043fa4dbd61
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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