HRID2326725

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

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

HCID4574913

未命名化合物

HCID5067264

2-(3-Bromophenoxy)tetrahydro-2H-pyran

C11H13BrO2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2cccc(OC3CCCCO3)c2)CC1

HCID23081281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f03a032641ec4d32b6400301000ea63f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:14][c:15]1[cH:16][c:17]([O:18][CH:19]2[O:20][CH2:21][CH2:22][CH2:23][CH2:24]2)[cH:25][cH:26][cH:27]1.[C:87]([O-:88])(=[O:89])[CH3:90].[C:92]([O-:93])(=[O:94])[CH3:95].[CH3:74][C:75]([CH3:76])([O-:77])[CH3:78].[CH3:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[CH3:97][CH2:98][O:99][C:100](=[O:101])[CH3:102].[N:1]1([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:2][CH2:3][NH:4][CH2:5][CH2:6]1.[Na+:79].[OH2:96].[Pd+2:91].[cH:28]1[cH:29][cH:30][c:31]([P:32]([c:33]2[cH:34][cH:35][c:36]3[c:37]([cH:38][cH:39][cH:40][cH:41]3)[c:42]2-[c:43]2[c:44]3[c:45]([cH:46][cH:47][cH:48][cH:49]3)[cH:50][cH:51][c:52]2[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)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[cH:72][cH:73]1>>[N:1]1([C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])[CH2:2][CH2:3][N:4]([c:15]2[cH:16][c:17]([O:18][CH:19]3[O:20][CH2:21][CH2:22][CH2:23][CH2:24]3)[cH:25][cH:26][cH:27]2)[CH2:5][CH2:6]1