HRID1572085

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID66111

Trimethylsilylacetylene

C5H10Si

HCID83717

Copper iodide (CuI2)

CuI2

结构：O=C(NOCCO)c1c(Nc2ccc(I)cc2F)c(F)c(=O)n2c1CCC2

HCID42606204

未命名化合物

PRODUCTS

生成物

结构：C#Cc1ccc(Nc2c(C(=O)NOCCO)c3n(c(=O)c2F)CCC3)c(F)c1

HCID42606320

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02e6c6ca1bae42f4822de083cc4945f0
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:41](=[O:42])([O-:43])[O-:44].[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH2:98]1[O:99][CH2:100][CH2:101][CH2:102]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:52][OH:53].[Cu:54]([I:55])[I:56].[F:1][c:2]1[c:3](=[O:27])[n:4]2[c:8]([c:9]([C:20](=[O:21])[NH:22][O:23][CH2:24][CH2:25][OH:26])[c:10]1[NH:11][c:12]1[c:13]([F:19])[cH:14][c:15]([I:18])[cH:16][cH:17]1)[CH2:7][CH2:6][CH2:5]2.[K+:45].[K+:46].[O:103]=[CH:104][N:105]([CH3:106])[CH3:107].[Pd:57]([Cl:58])[Cl:59].[Si:28]([CH3:29])([CH3:30])([CH3:31])[C:32]#[CH:33].[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1.[c:79]1([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94][cH:95][cH:96][cH:97]1>>[F:1][c:2]1[c:3](=[O:27])[n:4]2[c:8]([c:9]([C:20](=[O:21])[NH:22][O:23][CH2:24][CH2:25][OH:26])[c:10]1[NH:11][c:12]1[c:13]([F:19])[cH:14][c:15]([C:32]#[CH:33])[cH:16][cH:17]1)[CH2:7][CH2:6][CH2:5]2