HRID1539412

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6328

Methyl iodide

CH3I

HCID19660

Carbonate

CO3-2

反应SMILES：CC#CCn1c(N2CCCC(NC(=O)OC(C)(C)C)C2)nc2nc(Cl)[nH]c(=O)c21

HCID136059618

未命名化合物

PRODUCTS

产物

反应SMILES：CC#CCn1c(N2CCCC(NC(=O)OC(C)(C)C)C2)nc2nc(Cl)n(C)c(=O)c21

HCID57472743

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-361d22c22dc545cba02bc333359d2025
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[C:32](=[O:33])([O-:34])[O-:35].[CH2:1]([C:2]#[C:3][CH3:4])[n:5]1[c:6]([N:16]2[CH2:17][CH:18]([NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH2:19][CH2:20][CH2:21]2)[n:7][c:8]2[n:9][c:10]([Cl:15])[nH:11][c:12](=[O:14])[c:13]12.[CH3:30][I:31].[CH3:39][S:40](=[O:41])[CH3:42].[K+:36].[K+:37].[OH2:38]>>[CH2:1]([C:2]#[C:3][CH3:4])[n:5]1[c:6]([N:16]2[CH2:17][CH:18]([NH:22][C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH2:19][CH2:20][CH2:21]2)[n:7][c:8]2[n:9][c:10]([Cl:15])[n:11]([CH3:32])[c:12](=[O:14])[c:13]12