HRID2335408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID6140229

4-chloro-2-methoxy-7H-pyrrolo[2,3-d]pyrimidine

C7H6ClN3O

结构：CC1(C)OB(c2cnn(C(CC#N)C3CCCC3)c2)OC1(C)C

HCID59420165

未命名化合物

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：COc1nc(-c2cnn(C(CC#N)C3CCCC3)c2)c2cc[nH]c2n1

HCID67094745

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68e63b598f994a85932a4a1ddf1a5f57
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

[C:36](=[O:37])([O-:38])[O-:39].[CH2:42]1[O:43][CH2:44][CH2:45][O:46][CH2:47]1.[CH:13]1([CH:18]([CH2:19][C:20]#[N:21])[n:22]2[n:23][cH:24][c:25]([B:27]3[O:28][C:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35]3)[cH:26]2)[CH2:14][CH2:15][CH2:16][CH2:17]1.[Cl:1][c:2]1[c:3]2[c:4]([n:5][c:6]([O:8][CH3:9])[n:7]1)[nH:10][cH:11][cH:12]2.[K+:40].[K+:41].[OH2:48].[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:24][n:23][n:22]([CH:18]([CH:13]3[CH2:14][CH2:15][CH2:16][CH2:17]3)[CH2:19][C:20]#[N:21])[cH:26]2)[c:3]2[c:4]([n:5][c:6]([O:8][CH3:9])[n:7]1)[nH:10][cH:11][cH:12]2