HRID98767

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5975

Cyanide

CN-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID32051

Zinc (II) cation

Zn+2

结构：CN(Cc1cc(-c2cscc2Br)n(S(=O)(=O)c2cccnc2)c1)C(=O)OC(C)(C)C

HCID66974586

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

PRODUCTS

生成物

结构：CN(Cc1cc(-c2cscc2C#N)n(S(=O)(=O)c2cccnc2)c1)C(=O)OC(C)(C)C

HCID66974649

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-59bfa66332bb4d87bb58bd4b872b332a
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[c:3](-[c:7]2[cH:8][c:9]([CH2:21][N:22]([C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH3:30])[cH:10][n:11]2[S:12](=[O:13])(=[O:14])[c:15]2[cH:16][n:17][cH:18][cH:19][cH:20]2)[cH:4][s:5][cH:6]1.[C-:36]#[N:37].[C-:39]#[N:40].[CH3:31][N:32]([CH3:33])[CH:34]=[O:35].[Zn+2:38].[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([P:47]([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)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([P:66]([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)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[P:85]([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)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[cH:116][cH:117]1>>[c:2]1([C:31]#[N:32])[c:3](-[c:7]2[cH:8][c:9]([CH2:21][N:22]([C:23]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[CH3:30])[cH:10][n:11]2[S:12](=[O:13])(=[O:14])[c:15]2[cH:16][n:17][cH:18][cH:19][cH:20]2)[cH:4][s:5][cH:6]1