HRID1220771

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID81531

Diisopropylethylamine

C8H19N

HCID23133494

未命名化合物

结构：Cc1ncc(C#CC2=CCN(C(=O)OC(C)(C)C)CC2)cn1

HCID86619012

未命名化合物

PRODUCTS

生成物

结构：Cc1ncc(C#CC2=CCN(S(=O)(=O)CC3(C)NC(=O)NC3=O)CC2)cn1

HCID69367446

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e10de5b9c14423086032756f8ad3230
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

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