HRID1233873

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID581760

3-Thiopheneboronic acid

C4H5BO2S

结构：COc1ccc(Br)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F

HCID57809757

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(-c2ccsc2)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F

HCID57809894

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-afbf255765384e1f86b04751922a88ab
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([O:30][CH3:31])[c:6]([C:8]([CH2:9][C:10]([CH2:11][n:12]2[cH:13][cH:14][c:15](=[O:22])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]23)([C:23]([F:24])([F:25])[F:26])[OH:27])([CH3:28])[CH3:29])[cH:7]1.[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45].[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([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)([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([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)[P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([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)[cH:121][cH:122]1.[s:32]1[cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][cH:36]1>>[c:2]1(-[c:34]2[cH:33][s:32][cH:36][cH:35]2)[cH:3][cH:4][c:5]([O:30][CH3:31])[c:6]([C:8]([CH2:9][C:10]([CH2:11][n:12]2[cH:13][cH:14][c:15](=[O:22])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]23)([C:23]([F:24])([F:25])[F:26])[OH:27])([CH3:28])[CH3:29])[cH:7]1