HRID1240228

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID311

Citric acid

C6H8O7

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID8857

Ethyl acetate

C4H8O2

HCID8882

Cyclopentene

C5H8

HCID11776

Triphenylphosphine

C18H15P

HCID16028

Tetrabutylammonium

C16H36N+

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)(C)OC(=O)c1ccc(I)cc1NC(=O)c1ccccc1

HCID67342064

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(C2C=CCC2)cc1NC(=O)c1ccccc1

HCID67343467

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c785b7f2e98c4f358caedbf1c015792e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:30]([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)(=[O:37])[NH:38][c:39]1[c:40]([C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[cH:48][cH:49][c:50]([I:52])[cH:51]1.[C:84]([O-:85])(=[O:86])[CH3:87].[C:89]([O-:90])(=[O:91])[CH3:92].[CH2:1]1[CH2:2][CH:3]=[CH:4][CH2:5]1.[CH3:67][CH2:68][CH2:69][CH2:70][N+: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].[CH3:7][C:8](=[O:9])[O-:10].[CH3:93][CH2:94][O:95][C:96](=[O:97])[CH3:98].[Cl-:66].[K+:6].[OH:53][C:54]([CH2:55][C:56]([C:57](=[O:58])[OH:59])([CH2:60][C:61](=[O:62])[OH:63])[OH:64])=[O:65].[Pd+2:88].[c:11]1([P:12]([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[CH2:1]1[CH2:2][CH:3]([c:50]2[cH:49][cH:48][c:40]([C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[c:39]([NH:38][C:30]([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)=[O:37])[cH:51]2)[CH:4]=[CH:5]1