HRID1230685

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID77230767

未命名化合物

HCID86670360

未命名化合物

PRODUCTS

生成物

结构：CC#CC1CN(S(=O)(=O)c2ccc(Cl)nc2)CCN1c1ncc(C(C)(O)C(F)(F)F)cn1

HCID86670426

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6081115f7984bcb93b1a9aaf1d490a8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:43][N:44]1[CH2:45][CH2:46][CH2:47][C:48]1=[O:49].[CH:20]([N:21]([CH:22]([CH3:23])[CH3:24])[CH2:25][CH3:26])([CH3:27])[CH3:28].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH:13]([C:17]#[C:18][CH3:19])[NH:14][CH2:15][CH2:16]2)[cH:6][n:7]1.[Cl:29][c:30]1[n:31][cH:32][c:33]([C:36]([C:37]([F:38])([F:39])[F:40])([CH3:41])[OH:42])[cH:34][n:35]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]2[CH2:12][CH:13]([C:17]#[C:18][CH3:19])[N:14]([c:30]3[n:31][cH:32][c:33]([C:36]([C:37]([F:38])([F:39])[F:40])([CH3:41])[OH:42])[cH:34][n:35]3)[CH2:15][CH2:16]2)[cH:6][n:7]1