HRID1215802

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID31374

Dimethylacetamide

C4H9NO

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID14281430

1,3-Oxazole-4-carboxylic acid

C4H3NO3

HCID14281431

1,3-Oxazole-4-carbonyl chloride

C4H2ClNO2

结构：Cc1ccc(Oc2ccc3nc(N)sc3c2)cc1NC(=O)c1cccc(C2(C#N)CC2)c1

HCID86655351

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(Oc2ccc3nc(NC(=O)c4cocn4)sc3c2)cc1NC(=O)c1cccc(C2(C#N)CC2)c1

HCID86655353

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00f238df31bf4628b8c747c3aadbf6de
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

[CH3:55][N:56]([CH3:57])[C:58](=[O:59])[CH3:60].[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[Cl:49][C:50]([C:51]([Cl:52])=[O:53])=[O:54].[NH2:9][c:10]1[s:11][c:12]2[c:13]([n:14]1)[cH:15][cH:16][c:17]([O:19][c:20]1[cH:21][cH:22][c:23]([CH3:40])[c:24]([NH:26][C:27]([c:28]3[cH:29][c:30]([C:34]4([C:37]#[N:38])[CH2:35][CH2:36]4)[cH:31][cH:32][cH:33]3)=[O:39])[cH:25]1)[cH:18]2.[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1.[o:1]1[cH:2][n:3][c:4]([C:6](=[O:7])[Cl:8])[cH:5]1.[o:41]1[cH:42][c:43]([C:44]([OH:45])=[O:46])[n:47][cH:48]1>>[o:1]1[cH:2][n:3][c:4]([C:6](=[O:7])[NH:9][c:10]2[s:11][c:12]3[c:13]([n:14]2)[cH:15][cH:16][c:17]([O:19][c:20]2[cH:21][cH:22][c:23]([CH3:40])[c:24]([NH:26][C:27]([c:28]4[cH:29][c:30]([C:34]5([C:37]#[N:38])[CH2:35][CH2:36]5)[cH:31][cH:32][cH:33]4)=[O:39])[cH:25]2)[cH:18]3)[cH:5]1