HRID663847

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID22490042

[2-Methoxy-4-(trifluoromethoxy)phenyl]boronic acid

C8H8BF3O4

HCID23595037

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(CNc2cnc(-c3ccc(OC(F)(F)F)cc3OC)c(OC)n2)cc1

HCID22249073

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-019cb207e1a24a908df557e5abe91cef
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

[Br:7][c:8]1[n:9][cH:10][c:11]([NH:16][CH2:17][c:18]2[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]2)[n:12][c:13]1[O:14][CH3:15].[C:1](=[O:2])([O-:3])[O-:4].[CH3:26][O:27][c:28]1[c:29]([B:39]([OH:40])[OH:41])[cH:30][cH:31][c:32]([O:34][C:35]([F:36])([F:37])[F:38])[cH:33]1.[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[K+:5].[K+:6].[Na+:50].[OH-:49].[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>>[c:8]1(-[c:29]2[c:28]([O:27][CH3:26])[cH:33][c:32]([O:34][C:35]([F:36])([F:37])[F:38])[cH:31][cH:30]2)[n:9][cH:10][c:11]([NH:16][CH2:17][c:18]2[cH:19][cH:20][c:21]([O:24][CH3:25])[cH:22][cH:23]2)[n:12][c:13]1[O:14][CH3:15]