HRID2349782

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(N1CCc2ccc(Cl)c(OS(=O)(=O)C(F)(F)F)c2CC1)C(F)(F)F

HCID57447747

未命名化合物

HCID57655915

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)N1CCN(CC#Cc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)C1=O

HCID86629664

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa671fdcacfd4d04a960d6cf344412f7
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:27]([CH3:28])([CH3:29])([CH3:30])[N:31]1[C:32](=[O:39])[N:33]([CH2:36][C:37]#[CH:38])[CH2:34][CH2:35]1.[Cl:1][c:2]1[c:3]([O:19][S:20]([C:21]([F:22])([F:23])[F:24])(=[O:25])=[O:26])[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2>>[Cl:1][c:2]1[c:3]([C:38]#[C:37][CH2:36][N:33]2[C:32](=[O:39])[N:31]([C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:35][CH2:34]2)[c:4]2[c:5]([cH:17][cH:18]1)[CH2:6][CH2:7][N:8]([C:11]([C:12]([F:13])([F:14])[F:15])=[O:16])[CH2:9][CH2:10]2