HRID184296

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID24350

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

CuI

HCID137268

2-Ethynyl pyridine

C7H5N

结构：COC(=O)COc1ccc(OCC=C(c2ccc(C)cc2)c2ccc(I)cc2)cc1C

HCID123554747

未命名化合物

PRODUCTS

生成物

结构：COC(=O)COc1ccc(OCC=C(c2ccc(C)cc2)c2ccc(C#Cc3ccccn3)cc2)cc1C

HCID90780547

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8287eb451e8f41618380fb0c0ed9fcb7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:32](#[CH:33])[c:34]1[n:35][cH:36][cH:37][cH:38][cH:39]1.[CH3:1][c:2]1[c:3]([O:4][CH2:5][C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11][c:12]([O:14][CH2:15][CH:16]=[C:17]([c:18]2[cH:19][cH:20][c:21]([CH3:24])[cH:22][cH:23]2)[c:25]2[cH:26][cH:27][c:28]([I:31])[cH:29][cH:30]2)[cH:13]1.[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[Cu:129][I:130].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[Pd:52].[c:110]1([P:111]([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125][cH:126][cH:127][cH:128]1.[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68][cH:69][cH:70][cH:71]1.[c:72]1([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87][cH:88][cH:89][cH:90]1.[c:91]1([P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[cH:105][cH:106][cH:107][cH:108][cH:109]1>>[CH3:1][c:2]1[c:3]([O:4][CH2:5][C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11][c:12]([O:14][CH2:15][CH:16]=[C:17]([c:18]2[cH:19][cH:20][c:21]([CH3:24])[cH:22][cH:23]2)[c:25]2[cH:26][cH:27][c:28]([C:33]#[C:32][c:34]3[n:35][cH:36][cH:37][cH:38][cH:39]3)[cH:29][cH:30]2)[cH:13]1