HRID2133763

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID21939771

未命名化合物

结构：COC(=O)c1cc(I)ccc1OCCc1csc(SC(C)(C)C(=O)OC(C)(C)C)n1

HCID59759313

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：COC(=O)c1cc(-c2ccc(F)cc2)ccc1OCCc1csc(SC(C)(C)C(=O)OC(C)(C)C)n1

HCID59758832

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c5bfde6fac24a9e817f08106810ed12
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:1][O:2][C:3]([c:4]1[c:5]([O:11][CH2:12][CH2:13][c:14]2[n:15][c:16]([S:19][C:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])([CH3:28])[CH3:29])[s:17][cH:18]2)[cH:6][cH:7][c:8]([I:10])[cH:9]1)=[O:30].[F:31][c:32]1[cH:33][cH:34][c:35]([O:38][B:39]([OH:40])[OH:41])[cH:36][cH:37]1.[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47].[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[OH2:48].[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([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)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([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)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([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)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[CH3:1][O:2][C:3]([c:4]1[c:5]([O:11][CH2:12][CH2:13][c:14]2[n:15][c:16]([S:19][C:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])([CH3:28])[CH3:29])[s:17][cH:18]2)[cH:6][cH:7][c:8](-[c:35]2[cH:34][cH:33][c:32]([F:31])[cH:37][cH:36]2)[cH:9]1)=[O:30]