HRID117939

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

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

HCID634876

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

C44H32P2

HCID2756370

1-Boc-3-aminopyrrolidine

C9H18N2O2

HCID3543065

4-Bromo-2-chloro-1-fluorobenzene

C6H3BrClF

HCID4574913

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Nc2ccc(F)c(Cl)c2)C1

HCID66657070

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-827c1513892a4acaa9dc4ffce5cfddc0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:14][c:15]1[cH:16][c:17]([Cl:22])[c:18]([F:21])[cH:19][cH:20]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([NH2:13])[CH2:11][CH2:12]1.[C:75]([O-:76])(=[O:77])[CH3:78].[C:80]([O-:81])(=[O:82])[CH3:83].[CH3:69][C:70]([CH3:71])([O-:72])[CH3:73].[CH3:84][CH2:85][O:86][C:87](=[O:88])[CH3:89].[CH3:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[Na+:74].[OH2:90].[Pd+2:79].[cH:23]1[cH:24][cH:25][c:26]([P:27]([c:28]2[cH:29][cH:30][c:31]3[c:32]([cH:33][cH:34][cH:35][cH:36]3)[c:37]2-[c:38]2[c:39]3[c:40]([cH:41][cH:42][cH:43][cH:44]3)[cH:45][cH:46][c:47]2[P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([NH:13][c:15]2[cH:16][c:17]([Cl:22])[c:18]([F:21])[cH:19][cH:20]2)[CH2:11][CH2:12]1