HRID1536467

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID6344

Dichloromethane

CH2Cl2

HCID8071

未命名化合物

HCID2734371

3,4-METHYLENEDIOXYPHENYLBORONIC ACID

C7H7BO4

HCID4574913

未命名化合物

结构：Fc1ccccc1Cn1nc(-c2ncc(Br)cn2)c2cccnc21

HCID11589073

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：Fc1ccccc1Cn1nc(-c2ncc(-c3ccc4c(c3)OCO4)cn2)c2cccnc21

HCID21983535

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51775dd2f43941549eb0a4587e2f7af7
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][n:4][c:5](-[c:8]2[n:9][n:10]([CH2:17][c:18]3[c:19]([F:24])[cH:20][cH:21][cH:22][cH:23]3)[c:11]3[n:12][cH:13][cH:14][cH:15][c:16]23)[n:6][cH:7]1.[CH3:37][C:38]([CH3:39])([O-:40])[CH3:41].[CH3:43][O:44][CH2:45][CH2:46][O:47][CH3:48].[Cl:49][CH2:50][Cl:51].[K+:42].[O:25]1[CH2:26][O:27][c:28]2[c:29]1[cH:30][cH:31][c:32]([B:34]([OH:35])[OH:36])[cH:33]2.[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[c:2]1(-[c:32]2[cH:31][cH:30][c:29]3[c:28]([cH:33]2)[O:27][CH2:26][O:25]3)[cH:3][n:4][c:5](-[c:8]2[n:9][n:10]([CH2:17][c:18]3[c:19]([F:24])[cH:20][cH:21][cH:22][cH:23]3)[c:11]3[n:12][cH:13][cH:14][cH:15][c:16]23)[n:6][cH:7]1