HRID155500

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID21708499

未命名化合物

结构：COC(=O)C1CNCC(=O)N1Cc1ccc(C#N)c(N=C(c2ccccc2)c2ccccc2)c1

HCID54153171

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CN(Cc2cc3cc(Cl)ccc3n2C(=O)OC(C)(C)C)CC(=O)N1Cc1ccc(C#N)c(N=C(c2ccccc2)c2ccccc2)c1

HCID86760983

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13f203a858514594bbf4f722d434885e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:41]([CH3:42])([CH3:43])([CH3:44])[O:45][C:46](=[O:47])[n:48]1[c:49]([CH2:58][Br:59])[cH:50][c:51]2[cH:52][c:53]([Cl:57])[cH:54][cH:55][c:56]12.[CH2:64]([O:65][CH2:66][CH3:67])[CH3:68].[CH3:1][O:2][C:3](=[O:4])[CH:5]1[N:6]([CH2:12][c:13]2[cH:14][c:15]([N:21]=[C:22]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:16]([C:19]#[N:20])[cH:17][cH:18]2)[C:7](=[O:11])[CH2:8][NH:9][CH2:10]1.[CH3:60][C:61]#[N:62].[K+:35].[K+:36].[O-:37][C:38]([O-:39])=[O:40].[OH2:63]>>[CH3:1][O:2][C:3](=[O:4])[CH:5]1[N:6]([CH2:12][c:13]2[cH:14][c:15]([N:21]=[C:22]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:16]([C:19]#[N:20])[cH:17][cH:18]2)[C:7](=[O:11])[CH2:8][N:9]([CH2:58][c:49]2[n:48]([C:46]([O:45][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:47])[c:56]3[c:51]([cH:50]2)[cH:52][c:53]([Cl:57])[cH:54][cH:55]3)[CH2:10]1