HRID805795

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1117

Sulfate

O4S-2

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

2 次

HCID17208

Benzyltriethylammonium

C13H22N+

HCID19660

Carbonate

CO3-2

HCID12713810

未命名化合物

HCID178422143

未命名化合物

PRODUCTS

生成物

结构：CC1(CC2C(C(=O)OC(C#N)c3cccc(Oc4ccccc4)c3)C2(C)C)OCCO1

HCID178422145

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cfd00d85a21843d580aec7b9796acaf2
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:1](=[O:2])([O-:3])[O-:4].[C:61](#[N:62])[CH:63]([c:64]1[cH:65][c:66]([O:70][c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:67][cH:68][cH:69]1)[Br:77].[CH2:12]([N+:13]([CH2:14][CH2:15][CH2:16][CH3:17])([CH2:18][CH2:19][CH2:20][CH3:21])[CH2:22][CH2:23][CH2:24][CH3:25])[CH2:26][CH2:27][CH3:28].[CH2:29]([N+:30]([CH2:31][CH2:32][CH2:33][CH3:34])([CH2:35][CH2:36][CH2:37][CH3:38])[CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH3:45].[CH2:79]([N+:80]([CH2:81][CH3:82])([CH2:83][CH3:84])[CH2:85][CH3:86])[c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1.[CH3:46][C:47]1([CH3:60])[CH:48]([C:57](=[O:58])[OH:59])[CH:49]1[CH2:50][C:51]1([CH3:56])[O:52][CH2:53][CH2:54][O:55]1.[CH3:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[Cl-:78].[K+:5].[K+:6].[OH2:93].[S:7]([O-:8])([O-:9])(=[O:10])=[O:11]>>[CH3:46][C:47]1([CH3:60])[CH:48]([C:57](=[O:58])[O:59][CH:63]([C:61]#[N:62])[c:64]2[cH:65][c:66]([O:70][c:71]3[cH:72][cH:73][cH:74][cH:75][cH:76]3)[cH:67][cH:68][cH:69]2)[CH:49]1[CH2:50][C:51]1([CH3:56])[O:52][CH2:53][CH2:54][O:55]1