HRID157677

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID712

Formaldehyde

CH2O

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID962

Water

H2O

5 次

HCID1117

Sulfate

O4S-2

HCID7859

Propargyl alcohol

C3H4O

HCID27099

Copper(2+)

Cu+2

HCID30165

Iodide ion

I-

HCID31275

1,4-Dioxane

C4H8O2

结构：Cc1ccc(CC2CNCCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C

HCID18703556

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(CC2CN(CC#CCO)CCN2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C

HCID178424592

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4ae31c5f0f249fcbe395f6680d075a4
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:40](=[O:41])([O-:42])[OH:43].[CH2:1]=[O:2].[CH2:34]([C:35]#[CH:36])[OH:37].[CH2:45]1[O:46][CH2:47][CH2:48][O:49][CH2:50]1.[Cu+2:61].[F:3][C:4]([c:5]1[cH:6][c:7]([C:8](=[O:9])[N:10]2[CH:11]([CH2:16][c:17]3[cH:18][c:19]([CH3:24])[c:20]([CH3:23])[cH:21][cH:22]3)[CH2:12][NH:13][CH2:14][CH2:15]2)[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:32])[F:33].[I-:39].[K+:38].[Na+:44].[OH2:51].[OH2:52].[OH2:53].[OH2:54].[OH2:55].[S:56]([O-:57])([O-:58])(=[O:59])=[O:60]>>[F:3][C:4]([c:5]1[cH:6][c:7]([C:8](=[O:9])[N:10]2[CH:11]([CH2:16][c:17]3[cH:18][c:19]([CH3:24])[c:20]([CH3:23])[cH:21][cH:22]3)[CH2:12][N:13]([CH2:40][C:36]#[C:35][CH2:34][OH:37])[CH2:14][CH2:15]2)[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]1)([F:32])[F:33]