HRID2331600

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID6049

Ethylenediaminetetraacetic acid

C10H16N2O8

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID1991128

2-Chloro-4-methoxypyridine

C6H6ClNO

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

HCID178477795

未命名化合物

PRODUCTS

生成物

HCID4737758

4-methoxy-2-methylpyridine

C7H9NO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86076d45bbc04e72b9e7d7164b79bf1f
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

[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:2][Zn+:3].[Cl-:1].[Cl:4][c:5]1[n:6][cH:7][cH:8][c:9]([O:11][CH3:12])[cH:10]1.[K+:33].[K+:34].[O-:35][C:36]([O-:37])=[O:38].[OH:13][C:14]([CH2:15][N:16]([CH2:17][C:18](=[O:19])[OH:20])[CH2:21][CH2:22][N:23]([CH2:24][C:25](=[O:26])[OH:27])[CH2:28][C:29](=[O:30])[OH:31])=[O:32].[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120]1>>[c:5]1([CH3:14])[n:6][cH:7][cH:8][c:9]([O:11][CH3:12])[cH:10]1