HRID145017

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

HCID77922

tert-Butyl carbamate

C5H11NO2

HCID105144

Palladium(2+)

Pd+2

结构：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21

HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

HCID2782792

2-Chloro-4-fluoropyridine

C5H3ClFN

PRODUCTS

生成物

HCID51354888

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf411c3c80ad4c99bd80b903179e076e
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

[C:51]([NH2:52])([O:53][C:54]([CH3:55])([CH3:56])[CH3:57])=[O:58].[CH2:62]1[O:63][CH2:64][CH2:65][O:66][CH2:67]1.[Cl:43][c:44]1[n:45][cH:46][cH:47][c:48]([F:50])[cH:49]1.[Na+:60].[O-:69][C:70]([CH3:71])=[O:72].[O-:73][C:74]([CH3:75])=[O:76].[OH-:59].[OH2:61].[Pd+2:68].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[c:10]3[c:34]([cH:35][cH:36][cH:37]2)[C:31]([CH3:32])([CH3:33])[c:13]2[c:12]([c:17]([P:18]([c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[cH:16][cH:15][cH:14]2)[O:11]3)[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[c:44]1([NH:52][C:51]([O:53][C:54]([CH3:55])([CH3:56])[CH3:57])=[O:58])[n:45][cH:46][cH:47][c:48]([F:50])[cH:49]1