HRID90308

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

3 次

HCID24290

未命名化合物

HCID30165

Iodide ion

I-

HCID13431777

1-Ethynyl-3-(3-phenoxyphenoxy)benzene

C20H14O2

结构：O=C(C(=O)c1ccc(Oc2cccc(Br)c2)cc1)c1ccccc1

HCID13431780

未命名化合物

PRODUCTS

生成物

结构：O=C(C(=O)c1ccc(Oc2cccc(C#Cc3cccc(Oc4cccc(Oc5ccccc5)c4)c3)c2)cc1)c1ccccc1

HCID13431781

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84c435a85af54589a0eddfe33af52bf8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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