HRID809812

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID57149538

3-(2-Cyanopropan-2-yl)benzoic acid

C11H11NO2

结构：CC(=O)Nc1nc2ccc(Oc3ccc(F)c(N)c3)c(C#N)c2s1

HCID86644695

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1nc2ccc(Oc3ccc(F)c(NC(=O)c4cccc(C(C)(C)C#N)c4)c3)c(C#N)c2s1

HCID59454481

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80e632ea43c74c599c3fb1168489b9a3
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1](#[N:2])[C:3]([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][cH:13][cH:14]1.[CH3:21][N:22]([CH3:23])[CH:24]=[O:25].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl:15][C:16]([C:17]([Cl:18])=[O:19])=[O:20].[NH2:26][c:27]1[cH:28][c:29]([O:30][c:31]2[c:32]([C:44]#[N:45])[c:33]3[c:34]([n:35][c:36]([NH:38][C:39]([CH3:40])=[O:41])[s:37]3)[cH:42][cH:43]2)[cH:46][cH:47][c:48]1[F:49].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1>>[C:1](#[N:2])[C:3]([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([C:9](=[O:11])[NH:26][c:27]2[cH:28][c:29]([O:30][c:31]3[c:32]([C:44]#[N:45])[c:33]4[c:34]([n:35][c:36]([NH:38][C:39]([CH3:40])=[O:41])[s:37]4)[cH:42][cH:43]3)[cH:46][cH:47][c:48]2[F:49])[cH:12][cH:13][cH:14]1