HRID682991

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID11575

Benzene, iodo-

C6H5I

HCID12712

Tributyl borate

C12H27BO3

HCID19660

Carbonate

CO3-2

HCID11777988

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

HCID22066152

3-Bromo-2-methoxy-5-phenylthiophene

C11H9BrOS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-289a58c879b04dababa7c906f54aa934
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[B:10]([O:11][CH2:12][CH2:13][CH2:14][CH3:15])([O:16][CH2:17][CH2:18][CH2:19][CH3:20])[O:21][CH2:22][CH2:23][CH2:24][CH3:25].[Br:1][c:2]1[c:3]([O:8][CH3:9])[s:4][c:5]([Br:7])[cH:6]1.[C:26](=[O:27])([O-:28])[O-:29].[CH2:116]1[O:117][CH2:118][CH2:119][CH2:120]1.[I:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[Na+:30].[Na+:31].[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([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)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([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)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([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)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115]1>>[Br:1][c:2]1[c:3]([O:8][CH3:9])[s:4][c:5](-[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:6]1