HRID112513

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：Cc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-c3ccnc(C#N)c3)c2)cc1C(F)(F)F

HCID86589365

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-c3ccnc(C#N)c3)c1)=N2

HCID22317847

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43012813cef24a7faa7f408cb80f522a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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