HRID2137517

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID9255

Oxazole

C3H3NO

HCID32051

Zinc (II) cation

Zn+2

HCID21086185

未命名化合物

HCID178418339

Butyllithium

C4H9Li

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：CCCN(C)C(=O)c1cc(C(=O)OC)cc(-c2ncco2)c1

HCID68816107

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6cfbf0d817b49ebb8be0b21d3533058
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

[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH2:29]1[O:30][CH2:31][CH2:32][CH2:33]1.[CH3:11][O:12][C:13]([c:14]1[cH:15][c:16]([C:17](=[O:18])[N:19]([CH2:20][CH2:21][CH3:22])[CH3:23])[cH:24][c:25]([I:27])[cH:26]1)=[O:28].[CH3:34][CH2:35][O:36][CH2:37][CH3:38].[Cl-:39].[Cl-:41].[Zn+2:40].[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([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)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([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)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1.[o:6]1[cH:7][n:8][cH:9][cH:10]1>>[o:6]1[c:7](-[c:25]2[cH:24][c:16]([C:17](=[O:18])[N:19]([CH2:20][CH2:21][CH3:22])[CH3:23])[cH:15][c:14]([C:13]([O:12][CH3:11])=[O:28])[cH:26]2)[n:8][cH:9][cH:10]1