HRID1144864

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9845

Trifluoroacetic anhydride

C4F6O3

结构：CC(C)(C)OC(=O)N1CCN(c2ccc3oc(C(N)=O)cc3c2)CC1

HCID11244883

tert-Butyl 4-(2-carbamoyl-1-benzofuran-5-yl)piperazine-1-carboxylate

C18H23N3O4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc3oc(C#N)cc3c2)CC1

HCID67154775

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fcf4a49fc9344b4a925a3f2ad309b817
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[Cl:46][CH2:47][Cl:48].[F:33][C:34]([F:35])([F:36])[C:37]([O:38][C:39](=[O:40])[C:41]([F:42])([F:43])[F:44])=[O:45].[NH2:1][C:2](=[O:3])[c:4]1[o:5][c:6]2[c:7]([cH:8]1)[cH:9][c:10]([N:13]1[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]1)[cH:11][cH:12]2>>[N:1]#[C:2][c:4]1[o:5][c:6]2[c:7]([cH:8]1)[cH:9][c:10]([N:13]1[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:17][CH2:18]1)[cH:11][cH:12]2