HRID116422

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate Ion

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID78412

Phenyl dihydrogen orthoborate

C6H7BO3

HCID2799611

Ethyl 6-chloronicotinate

C8H8ClNO2

HCID178420554

未命名化合物

PRODUCTS

产物

HCID11096332

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7bcf50b9fd2e4b9c86ab070e4a3e6c78
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

[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][n:7][c:8]([Cl:11])[cH:9][cH:10]1)=[O:12].[Na+:23].[Na+:24].[O-:25][C:26](=[O:27])[O-:28].[O:30]1[CH2:31][CH2:32][O:33][CH2:34][CH2:35]1.[OH2:29].[c:13]1([O:19][B:20]([OH:21])[OH:22])[cH:14][cH:15][cH:16][cH:17][cH:18]1.[cH:36]1[cH:37][cH:38][c:39]([P:40]([Pd:41]([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)([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)([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112]1>>[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][n:7][c:8](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:9][cH:10]1)=[O:12]