HRID96546

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID32051

Zinc (II) cation

Zn+2

结构：CCS(=O)(=O)Nc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Br

HCID10874406

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

HCID178511850

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)Nc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1C#N

HCID11091077

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-58ae8bf258d04569be00416ebf46c08c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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