HRID1210300

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

3 次

HCID8028

Tetrahydrofuran

C4H8O

HCID32051

Zinc (II) cation

Zn+2

结构：COC(=O)C1=C(OS(=O)(=O)C(F)(F)F)CCN(C(=O)OC(C)(C)C)C1

HCID15221936

未命名化合物

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

HCID178424302

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1=C(c2ccccc2C)CCN(C(=O)OC(C)(C)C)C1

HCID58248373

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ef5eb5aae7e44029792bc7174763367
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

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