HRID686893

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID11773

Triphenylarsine

C18H15As

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID28179

Fluoride

F-

HCID28486

Lithium ion

Li+

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[CH2]OCc1ccc(OC)cc1

HCID11166591

未命名化合物

结构：COC(=O)CCC(C)=CCc1c(OS(=O)(=O)C(F)(F)F)c(C)c2c(c1OS(=O)(=O)c1ccc(C)cc1)C(=O)OC2

HCID57257837

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCC(C)=CCc1c(COCc2ccc(OC)cc2)c(C)c2c(c1OS(=O)(=O)c1ccc(C)cc1)C(=O)OC2

HCID57202881

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f72f14c530904c66b247c872c042983e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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