HRID204460

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID5975

Cyanide

CN-

HCID12679

Hexamethylphosphoramide

C6H18N3OP

结构：O=C1c2c(cc(Cl)cc2C(F)(F)F)CN1Cc1ccc(OC(F)(F)F)cc1

HCID11682976

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：N#Cc1cc2c(c(C(F)(F)F)c1)C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2

HCID86635672

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2c08ca090a34eafa6a11a0d27f416f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C-:28]#[N:29].[CH3:31][N:32]([CH3:33])[P:34]([N:35]([CH3:36])[CH3:37])([N:38]([CH3:39])[CH3:40])=[O:41].[Cl:1][c:2]1[cH:3][c:4]2[c:8]([c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1)[C:7](=[O:15])[N:6]([CH2:16][c:17]1[cH:18][cH:19][c:20]([O:23][C:24]([F:25])([F:26])[F:27])[cH:21][cH:22]1)[CH2:5]2.[K+:30].[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>>[c:2]1([C:28]#[N:29])[cH:3][c:4]2[c:8]([c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]1)[C:7](=[O:15])[N:6]([CH2:16][c:17]1[cH:18][cH:19][c:20]([O:23][C:24]([F:25])([F:26])[F:27])[cH:21][cH:22]1)[CH2:5]2