HRID182648

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID11776

Triphenylphosphine

C18H15P

5 次

HCID23938

Palladium

HCID4072356

2-Ethylhexanoate

C8H15O2-

结构：C=CCOC(=O)C1=C(c2cccc(CO)c2)CC2C(C(C)O)C(=O)N12

HCID178459342

未命名化合物

PRODUCTS

生成物

HCID923

Sodium ion

Na+

结构：CC(O)C1C(=O)N2C(C(=O)[O-])=C(c3cccc(CO)c3)CC12

HCID178467292

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8bc4ee2a6b54a98b421cbd3287c740c
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

[CH2:26]([CH:27]([CH2:28][CH2:29][CH2:30][CH3:31])[C:32]([O-:33])=[O:34])[CH3:35].[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:56][CH2:57][CH2:58][CH2:59][CH2:60][CH3:61].[Na+:36].[OH:1][CH:2]([CH3:3])[CH:4]1[CH:5]2[CH2:6][C:7]([c:18]3[cH:19][c:20]([CH2:24][OH:25])[cH:21][cH:22][cH:23]3)=[C:8]([C:12](=[O:13])[O:14][CH2:15][CH:16]=[CH2:17])[N:9]2[C:10]1=[O:11].[Pd:67].[c:106]1([P:107]([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121][cH:122][cH:123][cH:124]1.[c:125]1([P:126]([c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[c:133]2[cH:134][cH:135][cH:136][cH:137][cH:138]2)[cH:139][cH:140][cH:141][cH:142][cH:143]1.[c:37]1([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:51][cH:52][cH:53][cH:54][cH:55]1.[c:68]1([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[cH:82][cH:83][cH:84][cH:85][cH:86]1.[c:87]1([P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[cH:101][cH:102][cH:103][cH:104][cH:105]1>>[Na+:36].[OH:1][CH:2]([CH3:3])[CH:4]1[CH:5]2[CH2:6][C:7]([c:18]3[cH:19][c:20]([CH2:24][OH:25])[cH:21][cH:22][cH:23]3)=[C:8]([C:12](=[O:13])[O-:14])[N:9]2[C:10]1=[O:11]