HRID199989

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

HCID4837

Piperazine

C4H10N2

HCID8857

Ethyl acetate

C4H8O2

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

HCID4574913

未命名化合物

HCID4646436

2-(4-Bromophenoxy)tetrahydro-2H-pyran

C11H13BrO2

PRODUCTS

生成物

HCID23081157

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b53b5e812d0a4cb0b80091dfb4ec1844
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH:7]2[O:8][CH2:9][CH2:10][CH2:11][CH2:12]2)[cH:13][cH:14]1.[C:80]([O-:81])(=[O:82])[CH3:83].[C:85]([O-:86])(=[O:87])[CH3:88].[CH2:15]1[CH2:16][NH:17][CH2:18][CH2:19][NH:20]1.[CH3:67][C:68]([CH3:69])([O-:70])[CH3:71].[CH3:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[CH3:90][CH2:91][O:92][C:93](=[O:94])[CH3:95].[Na+:72].[OH2:89].[Pd+2:84].[cH:21]1[cH:22][cH:23][c:24]([P:25]([c:26]2[cH:27][cH:28][c:29]3[c:30]([cH:31][cH:32][cH:33][cH:34]3)[c:35]2-[c:36]2[c:37]3[c:38]([cH:39][cH:40][cH:41][cH:42]3)[cH:43][cH:44][c:45]2[P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66]1>>[c:2]1([N:17]2[CH2:16][CH2:15][NH:20][CH2:19][CH2:18]2)[cH:3][cH:4][c:5]([O:6][CH:7]2[O:8][CH2:9][CH2:10][CH2:11][CH2:12]2)[cH:13][cH:14]1