HRID172073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

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

HCID412941

NoName_3505

C7H11NO

结构：CCOC(=O)COc1ccc(OCC=C(c2ccc(I)cc2)c2ccc(C(F)(F)F)cc2)c2occc12

HCID90923842

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1ccc(OCC=C(c2ccc(C#CCN3CCOCC3)cc2)c2ccc(C(F)(F)F)cc2)c2occc12

HCID91328347

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83faaa3a202c4b80a4bd6de7d61dd9be
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

[CH2:1]([C:2]#[CH:3])[N:4]1[CH2:5][CH2:6][O:7][CH2:8][CH2:9]1.[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[Cu:142][I:143].[I:10][c:11]1[cH:12][cH:13][c:14]([C:17](=[CH:18][CH2:19][O:20][c:21]2[cH:22][cH:23][c:24]([O:30][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[c:25]3[c:26]2[o:27][cH:28][cH:29]3)[c:37]2[cH:38][cH:39][c:40]([C:43]([F:44])([F:45])[F:46])[cH:41][cH:42]2)[cH:15][cH:16]1.[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[Pd:65].[c:104]1([P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119][cH:120][cH:121][cH:122]1.[c:123]1([P:124]([c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[cH:137][cH:138][cH:139][cH:140][cH:141]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1.[c:85]1([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[cH:99][cH:100][cH:101][cH:102][cH:103]1.[cH:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1>>[CH2:1]([C:2]#[C:3][c:11]1[cH:12][cH:13][c:14]([C:17](=[CH:18][CH2:19][O:20][c:21]2[cH:22][cH:23][c:24]([O:30][CH2:31][C:32](=[O:33])[O:34][CH2:35][CH3:36])[c:25]3[c:26]2[o:27][cH:28][cH:29]3)[c:37]2[cH:38][cH:39][c:40]([C:43]([F:44])([F:45])[F:46])[cH:41][cH:42]2)[cH:15][cH:16]1)[N:4]1[CH2:5][CH2:6][O:7][CH2:8][CH2:9]1