HRID1554054

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID56765707

未命名化合物

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

PRODUCTS

生成物

结构：CC(C)(C)C(=O)NCCC#Cc1c(Cl)ccc2c1CCN(C(=O)C(F)(F)F)CC2

HCID86622783

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-774a9ad28ff1408ba4a3adea754f79ea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:27]([CH2:28][C:29]#[CH:30])[NH:31][C:32]([C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37].[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.[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[Cl:1][c:2]1[c:3]([C:30]#[C:29][CH2:28][CH2:27][NH:31][C:32]([C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[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