HRID811763

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID17952696

未命名化合物

HCID17952706

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：CCCCOc1c(-c2cccc3sc(C(C)=O)cc23)cc(C(C)C)cc1C(C)C

HCID17952797

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37f70b78a1404deaa84c0d217d2d4f00
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:21]([CH3:22])(=[O:23])[c:24]1[cH:25][c:26]2[c:27]([s:28]1)[cH:29][cH:30][cH:31][c:32]2[I:33].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[CH3:48][CH2:49][OH:50].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:16][CH2:17][CH2:18][CH2:19][CH3:20])[c:6]([B:13]([OH:14])[OH:15])[cH:7][c:8]([CH:10]([CH3:11])[CH3:12])[cH:9]1.[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[OH2:40].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:16][CH2:17][CH2:18][CH2:19][CH3:20])[c:6](-[c:32]2[c:26]3[cH:25][c:24]([C:21]([CH3:22])=[O:23])[s:28][c:27]3[cH:29][cH:30][cH:31]2)[cH:7][c:8]([CH:10]([CH3:11])[CH3:12])[cH:9]1