HRID192286

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

结构：Cc1cc(I)cc(C(=O)NC2(C3CC3)CC2)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl

HCID57887202

未命名化合物

HCID178418546

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C#N)cc(C(=O)NC2(C3CC3)CC2)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl

HCID70960476

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-894621129efc44b392ce7462e3769e0f
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:1]1([CH:4]2[CH2:5][CH2:6]2)([NH:7][C:8](=[O:9])[c:10]2[c:11]([NH:18][C:19](=[O:20])[c:21]3[n:22](-[c:30]4[n:31][cH:32][cH:33][cH:34][c:35]4[Cl:36])[n:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]3)[c:12]([CH3:17])[cH:13][c:14]([I:16])[cH:15]2)[CH2:2][CH2:3]1.[Cu:37][C:38]#[N:39].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[Pd:45].[c:103]1([P:104]([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][cH:119][cH:120][cH:121]1.[c:46]1([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)[cH:60][cH:61][cH:62][cH:63][cH:64]1.[c:65]1([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)[cH:79][cH:80][cH:81][cH:82][cH:83]1.[c:84]1([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)[cH:98][cH:99][cH:100][cH:101][cH:102]1>>[C:1]1([CH:4]2[CH2:5][CH2:6]2)([NH:7][C:8](=[O:9])[c:10]2[c:11]([NH:18][C:19](=[O:20])[c:21]3[n:22](-[c:30]4[n:31][cH:32][cH:33][cH:34][c:35]4[Cl:36])[n:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]3)[c:12]([CH3:17])[cH:13][c:14]([C:38]#[N:39])[cH:15]2)[CH2:2][CH2:3]1