HRID1126893

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

HCID17952706

未命名化合物

HCID18504242

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：CCOc1c(-c2cccc3sc(C(C)=O)cc23)cc(C(C)C)cc1C(C)C

HCID17952747

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d106c272bbd145e6a870261c6351f0b6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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