HRID149738

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID105144

Palladium(2+)

Pd+2

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

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

HCID634876

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

C44H32P2

HCID49851899

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(N3CCN(C(=O)OC(C)(C)C)CC3)cccc2n1

HCID49851900

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ea73ba231b64cd595af0e75a8ad9310
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[F:60][C:61]([F:62])([F:63])[S:64]([O:65][c:66]1[c:67]2[cH:68][cH:69][c:70]([CH3:76])[n:71][c:72]2[cH:73][cH:74][cH:75]1)(=[O:77])=[O:78].[N:47]1([C:53](=[O:54])[O:55][C:56]([CH3:57])([CH3:58])[CH3:59])[CH2:48][CH2:49][NH:50][CH2:51][CH2:52]1.[O-:87][C:88]([CH3:89])=[O:90].[O-:91][C:92]([CH3:93])=[O:94].[Pd+2:86].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:14][cH:15][cH:16][cH:17]3)[c:18]2-[c:19]2[c:20]3[c:21]([cH:22][cH:23][cH:24][cH:25]3)[cH:26][cH:27][c:28]2[P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[N:47]1([C:53](=[O:54])[O:55][C:56]([CH3:57])([CH3:58])[CH3:59])[CH2:48][CH2:49][N:50]([c:66]2[c:67]3[cH:68][cH:69][c:70]([CH3:76])[n:71][c:72]3[cH:73][cH:74][cH:75]2)[CH2:51][CH2:52]1