HRID1557897

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID12287

3-Chloropyridine

C5H4ClN

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID3548422

3-Ethynylthiophene

C6H4S

结构：CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID86315546

未命名化合物

PRODUCTS

生成物

HCID10035323

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5328baadad345938376143cb7419f29
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:51](=[O:52])([O-:53])[O-:54].[C:8](#[CH:9])[c:10]1[cH:11][s:12][cH:13][cH:14]1.[CH3:57][C:58]#[N:59].[CH:15]1([P:16]([CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]2-[c:29]2[c:30]([CH:31]([CH3:32])[CH3:33])[cH:34][c:35]([S:36]([O-:37])(=[O:38])=[O:39])[cH:40][c:41]2[CH:42]([CH3:43])[CH3:44])[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]1.[Cl:1][c:2]1[cH:3][n:4][cH:5][cH:6][cH:7]1.[Cs+:55].[Cs+:56].[Na+:50].[OH2:60]>>[c:2]1([C:9]#[C:8][c:10]2[cH:11][s:12][cH:13][cH:14]2)[cH:3][n:4][cH:5][cH:6][cH:7]1