HRID185491

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl Acetate

C4H8O2

HCID19660

Carbonate Ion

CO3-2

HCID81700

2-Thiophenecarboxaldehyde, 5-chloro-

C5H3ClOS

HCID2734390

3,4,5-Trimethoxyphenylboronic acid

C9H13BO5

HCID178420554

未命名化合物

PRODUCTS

产物

HCID18408497

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-90d6bf27883e411bbc42e6b938c4126c
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

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