HRID138653

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6342

Acetonitrile

C2H3N

HCID9322

Thiocyanate

CNS-

HCID16028

Tetrabutylammonium

C16H36N+

HCID61778

Bisulfate anion

HO4S-

结构：CC(=O)OCC1OC(Br)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID102932

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1OC(N=C=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID312833

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d64efd8a9592416293b6f11f26973a45
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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