HRID89506

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID5975

Cyanide

CN-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID32051

Zinc (II) cation

Zn+2

结构：Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1Br

HCID23159812

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C#N

HCID58200108

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-874a003a45384c2ba04dc2d57097fdf5
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]([CH3:25])[cH:4][c:5]([C:8]2=[N:9][O:10][C:11]([C:13]([F:14])([F:15])[F:16])([c:17]3[cH:18][c:19]([Cl:24])[cH:20][c:21]([Cl:23])[cH:22]3)[CH2:12]2)[cH:6][cH:7]1.[C-:38]#[N:39].[C-:41]#[N:42].[CH3:26][N:27]([CH3:28])[CH:29]=[O:30].[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[Pd:43].[Zn+2:40].[c:101]1([P:102]([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116][cH:117][cH:118][cH:119]1.[c:44]1([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[cH:58][cH:59][cH:60][cH:61][cH:62]1.[c:63]1([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[cH:77][cH:78][cH:79][cH:80][cH:81]1.[c:82]1([P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[cH:96][cH:97][cH:98][cH:99][cH:100]1>>[c:2]1([C:26]#[N:27])[c:3]([CH3:25])[cH:4][c:5]([C:8]2=[N:9][O:10][C:11]([C:13]([F:14])([F:15])[F:16])([c:17]3[cH:18][c:19]([Cl:24])[cH:20][c:21]([Cl:23])[cH:22]3)[CH2:12]2)[cH:6][cH:7]1