HRID2312494

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

3 次

HCID24290

未命名化合物

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID2775132

4-Butylphenylacetylene

C12H14

结构：CCCCCCN(Cc1ccc(F)c(C(=O)OC)c1)S(=O)(=O)c1ccc(Br)cc1

HCID57554548

未命名化合物

PRODUCTS

生成物

结构：CCCCCCN(Cc1ccc(F)c(C(=O)OC)c1)S(=O)(=O)c1ccc(C#Cc2ccc(CCCC)cc2)cc1

HCID57554465

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d20ece94724e498caa8cd03c774e6a6e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[CH2:18][c:19]2[cH:20][cH:21][c:22]([F:29])[c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28]2)[cH:6][cH:7]1.[CH2:30]([CH2:31][CH2:32][CH3:33])[c:34]1[cH:35][cH:36][c:37]([C:40]#[CH:41])[cH:38][cH:39]1.[CH3:66][CH2:67][O:68][CH2:69][CH3:70].[Cu:112][I:113].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[Pd:71]([Cl:72])[Cl:73].[c:42]1([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:56][cH:57][cH:58][cH:59][cH:60]1.[c:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1.[c:93]1([P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:107][cH:108][cH:109][cH:110][cH:111]1>>[c:2]1([C:41]#[C:40][c:37]2[cH:36][cH:35][c:34]([CH2:30][CH2:31][CH2:32][CH3:33])[cH:39][cH:38]2)[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[CH2:18][c:19]2[cH:20][cH:21][c:22]([F:29])[c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28]2)[cH:6][cH:7]1