HRID668220

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

HCID14268

4-Bromopyridine

C5H4BrN

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

PRODUCTS

生成物

HCID57436818

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41c05cb7bcfc4e64ba02fc89c5e212a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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