HRID1232694

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

结构：CC(OCC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1)c1cc(Br)cc2cn(COCC[Si](C)(C)C)nc12

HCID57546111

未命名化合物

HCID178514178

未命名化合物

PRODUCTS

生成物

结构：CC(OCC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1)c1cc(C#N)cc2cn(COCC[Si](C)(C)C)nc12

HCID57546137

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4724d55c556748efaa78116e791edf73
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[cH:5][n:6]([CH2:35][O:36][CH2:37][CH2:38][Si:39]([CH3:40])([CH3:41])[CH3:42])[n:7][c:8]2[c:9]([CH:11]([CH3:12])[O:13][CH2:14][C:15]2([c:28]3[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]3)[CH2:16][CH2:17][N:18]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:19][CH2:20]2)[cH:10]1.[C:43](#[N:44])[Zn:45].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[Pd:51].[c:109]1([P:110]([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124][cH:125][cH:126][cH:127]1.[c:52]1([P:53]([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)[cH:66][cH:67][cH:68][cH:69][cH:70]1.[c:71]1([P:72]([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)[cH:85][cH:86][cH:87][cH:88][cH:89]1.[c:90]1([P:91]([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)[cH:104][cH:105][cH:106][cH:107][cH:108]1>>[c:2]1([C:43]#[N:44])[cH:3][c:4]2[cH:5][n:6]([CH2:35][O:36][CH2:37][CH2:38][Si:39]([CH3:40])([CH3:41])[CH3:42])[n:7][c:8]2[c:9]([CH:11]([CH3:12])[O:13][CH2:14][C:15]2([c:28]3[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]3)[CH2:16][CH2:17][N:18]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:19][CH2:20]2)[cH:10]1