HRID179585

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID64783

Pseudosaccharin chloride

C7H4ClNO2S

HCID10399268

未命名化合物

PRODUCTS

生成物

结构：NC(N)=Nc1nc(-c2ccc(CNC3=NS(=O)(=O)c4ccccc43)o2)cs1

HCID178512616

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd520a31c705453aafd1b5187de8eb5d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:36](=[O:37])([O-:38])[O-:39].[CH2:53]([O:54][C:55](=[O:56])[CH3:57])[CH3:58].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[Cl:17][C:18]1=[N:19][S:20](=[O:27])(=[O:28])[c:21]2[c:22]1[cH:23][cH:24][cH:25][cH:26]2.[K+:40].[K+:41].[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6](-[c:8]2[n:9][c:10]([N:13]=[C:14]([NH2:15])[NH2:16])[s:11][cH:12]2)[o:7]1.[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[OH2:47]>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][c:6](-[c:8]2[n:9][c:10]([N:13]=[C:14]([NH2:15])[NH2:16])[s:11][cH:12]2)[o:7]1)[C:18]1=[N:19][S:20](=[O:27])(=[O:28])[c:21]2[c:22]1[cH:23][cH:24][cH:25][cH:26]2