HRID309364

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID8028

Tetrahydrofuran

C4H8O

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

HCID178505904

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1=C(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)C1

HCID58985840

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-900976ed12f94d9ca6e34c5d998a5484
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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