HRID2148296

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID6228

Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID69632

Bromoacetamide

C2H4BrNO

HCID104967

Cesium(1+)

Cs+

2 次

反应SMILES：CCCC1(CCC)C(=O)C(C2=NS(=O)(=O)c3cc(O)ccc3N2)=C(O)c2ccccc21

HCID135436704

未命名化合物

PRODUCTS

产物

反应SMILES：CCCC1(CCC)C(=O)C(C2=NS(=O)(=O)c3cc(OCC(N)=O)ccc3N2)=C(O)c2ccccc21

HCID135518346

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ad1805ed5a3f4fa5ac9750f6610fed58
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[Br:32][CH2:33][C:34](=[O:35])[NH2:36].[C:37](=[O:38])([O-:39])[O-:40].[CH2:57]([N+:58]([CH2:59][CH2:60][CH2:61][CH3:62])([CH2:63][CH2:64][CH2:65][CH3:66])[CH2:67][CH2:68][CH2:69][CH3:70])[CH2:71][CH2:72][CH3:73].[CH3:74][N:75]([CH3:76])[CH:77]=[O:78].[Cs+:41].[Cs+:42].[I-:56].[OH:1][C:2]1=[C:3]([C:19]2=[N:20][S:21](=[O:30])(=[O:31])[c:22]3[c:23]([cH:25][cH:26][c:27]([OH:29])[cH:28]3)[NH:24]2)[C:4](=[O:18])[C:5]([CH2:12][CH2:13][CH3:14])([CH2:15][CH2:16][CH3:17])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21.[OH:43][C:44]([CH2:45][C:46]([C:47](=[O:48])[OH:49])([CH2:50][C:51](=[O:52])[OH:53])[OH:54])=[O:55]>>[OH:1][C:2]1=[C:3]([C:19]2=[N:20][S:21](=[O:30])(=[O:31])[c:22]3[c:23]([cH:25][cH:26][c:27]([O:29][CH2:33][C:34](=[O:35])[NH2:36])[cH:28]3)[NH:24]2)[C:4](=[O:18])[C:5]([CH2:12][CH2:13][CH3:14])([CH2:15][CH2:16][CH3:17])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21