HRID2141407

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID2795363

4-[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine

C15H23BN2O3

HCID57829218

1-(2-Bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one

C11H12BrN3O

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

PRODUCTS

生成物

结构：CC(C)(C)C(=O)c1c[nH]c2ncc(-c3ccc(N4CCOCC4)nc3)nc12

HCID44193096

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbf3817594b74d3291efd2153be57667
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[n:3][c:4]2[c:5]([n:6][cH:7]1)[nH:8][cH:9][c:10]2[C:11]([C:12]([CH3:13])([CH3:14])[CH3:15])=[O:16].[CH3:17][C:18]1([CH3:19])[C:20]([CH3:21])([CH3:22])[O:23][B:24]([c:25]2[cH:26][cH:27][c:28]([N:31]3[CH2:32][CH2:33][O:34][CH2:35][CH2:36]3)[n:29][cH:30]2)[O:37]1.[CH3:44][OH:45].[Cl:46][CH2:47][Cl:48].[K+:38].[K+:39].[O-:40][C:41]([O-:42])=[O:43].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([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)([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([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)[P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125]1>>[c:2]1(-[c:25]2[cH:26][cH:27][c:28]([N:31]3[CH2:32][CH2:33][O:34][CH2:35][CH2:36]3)[n:29][cH:30]2)[n:3][c:4]2[c:5]([n:6][cH:7]1)[nH:8][cH:9][c:10]2[C:11]([C:12]([CH3:13])([CH3:14])[CH3:15])=[O:16]