HRID1218341

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

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(Cl)cc2)c2ccc(I)cc2)cc1C

HCID91352668

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

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

HCID91162657

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6338fb95dd2041fb8deb0575eee69628
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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