HRID806633

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID23381

Benzonitrile, m-bromo-

C7H4BrN

HCID105144

Palladium(2+)

Pd+2

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID1268291

4-Amino-1-Boc-piperidine

C10H20N2O2

HCID4574913

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Nc2cccc(C#N)c2)CC1

HCID25223796

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7fb1e591eb4348ffaaec15a65259892a
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:15][c:16]1[cH:17][c:18]([C:19]#[N:20])[cH:21][cH:22][cH:23]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([NH2:14])[CH2:12][CH2:13]1.[C:83]([O-:84])(=[O:85])[CH3:86].[C:88]([O-:89])(=[O:90])[CH3:91].[CH3:70][C:71]([CH3:72])([O-:73])[CH3:74].[CH3:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[Na+:75].[Pd+2:87].[cH:24]1[cH:25][cH:26][c:27]([P:28]([c:29]2[cH:30][cH:31][c:32]3[c:33]([cH:34][cH:35][cH:36][cH:37]3)[c:38]2-[c:39]2[c:40]3[c:41]([cH:42][cH:43][cH:44][cH:45]3)[cH:46][cH:47][c:48]2[P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[cH:68][cH:69]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:16]2[cH:17][c:18]([C:19]#[N:20])[cH:21][cH:22][cH:23]2)[CH2:12][CH2:13]1