HRID1208417

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl Acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID87885

Propanoic acid, 2,2-dimethyl-, chloromethyl ester

C6H11ClO2

反应SMILES：CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2[nH]c(=O)[nH]c(=O)c21

HCID23536944

未命名化合物

PRODUCTS

产物

反应SMILES：CC#CCn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2c1c(=O)[nH]c(=O)n2COC(=O)C(C)(C)C

HCID23081918

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-50b41c4929fd4bc2abcfac1204769721
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

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