HRID1567765

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID31275

1,4-Dioxane

C4H8O2

HCID16217714

2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C12H18BNO3

结构：Brc1cccc(-c2cnc3nnc(C4(c5ccc6ncccc6c5)CC4)n3n2)c1

HCID24829629

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：COc1ccc(-c2cccc(-c3cnc4nnc(C5(c6ccc7ncccc7c6)CC5)n4n3)c2)cn1

HCID24830141

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-198741145ec44c969b56557450023b42
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4](-[c:8]2[cH:9][n:10][c:11]3[n:12]([n:13]2)[c:14]([C:17]2([c:20]4[cH:21][c:22]5[cH:23][cH:24][cH:25][n:26][c:27]5[cH:28][cH:29]4)[CH2:18][CH2:19]2)[n:15][n:16]3)[cH:5][cH:6][cH:7]1.[CH2:56]1[O:57][CH2:58][CH2:59][O:60][CH2:61]1.[CH3:30][O:31][c:32]1[n:33][cH:34][c:35]([B:38]2[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]2)[cH:36][cH:37]1.[K+:52].[K+:53].[K+:54].[OH2:55].[P:47]([O-:48])([O-:49])([O-:50])=[O:51].[cH:62]1[cH:63][cH:64][c:65]([P:66]([Pd:67]([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([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)([P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([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)[P:106]([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)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)([c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[cH:137][cH:138]1>>[c:2]1(-[c:35]2[cH:34][n:33][c:32]([O:31][CH3:30])[cH:37][cH:36]2)[cH:3][c:4](-[c:8]2[cH:9][n:10][c:11]3[n:12]([n:13]2)[c:14]([C:17]2([c:20]4[cH:21][c:22]5[cH:23][cH:24][cH:25][n:26][c:27]5[cH:28][cH:29]4)[CH2:18][CH2:19]2)[n:15][n:16]3)[cH:5][cH:6][cH:7]1