HRID2339847

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID581760

3-Thiopheneboronic acid

C4H5BO2S

HCID11426638

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：c1ccc(-c2noc(-c3cncc(-c4ccsc4)c3)n2)nc1

HCID21942433

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9737b2972d0a4238a0360f4185c3b9c2
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

[CH3:110][O:111][CH2:112][CH2:113][O:114][CH3:115].[Na+:27].[Na+:28].[O-:29][C:30](=[O:31])[O-:32].[cH:33]1[cH:34][cH:35][c:36]([P:37]([Pd:38]([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([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)([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[cH:108][cH:109]1.[n:1]1[c:2](-[c:7]2[n:8][o:9][c:10](-[c:12]3[cH:13][n:14][cH:15][c:16]([Br:18])[cH:17]3)[n:11]2)[cH:3][cH:4][cH:5][cH:6]1.[s:19]1[cH:20][c:21]([B:24]([OH:25])[OH:26])[cH:22][cH:23]1>>[n:1]1[c:2](-[c:7]2[n:8][o:9][c:10](-[c:12]3[cH:13][n:14][cH:15][c:16](-[c:21]4[cH:20][s:19][cH:23][cH:22]4)[cH:17]3)[n:11]2)[cH:3][cH:4][cH:5][cH:6]1