HRID182914

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8003

Pentane

C5H12

HCID8028

Tetrahydrofuran

C4H8O

HCID15313

1-Bromo-4-ethylbenzene

C8H9Br

结构：CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(OS(=O)(=O)C(F)(F)F)=CC(C)(C)S3)cc1

HCID10051511

未命名化合物

HCID178418306

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：CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(c2ccc(CC)cc2)=CC(C)(C)S3)cc1

HCID21957874

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a6896551292146e0acefaca919accd88
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:10]([Li:11])([CH3:12])([CH3:13])[CH3:14].[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6]([Br:9])[cH:7][cH:8]1.[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:15][C:16]1([CH3:47])[S:17][c:18]2[cH:19][cH:20][c:21]([C:34]#[C:35][c:36]3[cH:37][cH:38][c:39]([C:40](=[O:41])[O:42][CH2:43][CH3:44])[cH:45][cH:46]3)[cH:22][c:23]2[C:24]([O:26][S:27]([C:28]([F:29])([F:30])[F:31])(=[O:32])=[O:33])=[CH:25]1.[CH3:53][CH2:54][CH2:55][CH2:56][CH3:57].[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>>[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6]([C:24]2=[CH:25][C:16]([CH3:15])([CH3:47])[S:17][c:18]3[cH:19][cH:20][c:21]([C:34]#[C:35][c:36]4[cH:37][cH:38][c:39]([C:40](=[O:41])[O:42][CH2:43][CH3:44])[cH:45][cH:46]4)[cH:22][c:23]32)[cH:7][cH:8]1