HRID147444

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID2734375

2-Naphthaleneboronic acid

C10H9BO2

结构：Cc1ccc(S(=O)(=O)OCC2Cc3cccc(OS(=O)(=O)C(F)(F)F)c3O2)cc1

HCID86599077

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：Cc1ccc(S(=O)(=O)OCC2Cc3cccc(-c4ccc5ccccc5c4)c3O2)cc1

HCID86599081

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf7e6e1382654514b3c9876c7ac16a3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[O:11][CH2:12][CH:13]2[O:14][c:15]3[c:16]([cH:18][cH:19][cH:20][c:21]3[O:22][S:23]([C:24]([F:25])([F:26])[F:27])(=[O:28])=[O:29])[CH2:17]2)[cH:6][cH:7]1.[K+:48].[K+:49].[K+:50].[P:43]([O-:44])([O-:45])([O-:46])=[O:47].[cH:30]1[c:31]([B:40]([OH:41])[OH:42])[cH:32][cH:33][c:34]2[cH:35][cH:36][cH:37][cH:38][c:39]12.[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([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)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[O:11][CH2:12][CH:13]2[O:14][c:15]3[c:16]([cH:18][cH:19][cH:20][c:21]3-[c:31]3[cH:30][c:39]4[c:34]([cH:33][cH:32]3)[cH:35][cH:36][cH:37][cH:38]4)[CH2:17]2)[cH:6][cH:7]1