HRID198298

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID1048

Pyrazole

C3H4N2

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID61668

Boronic acid

H3BO2

结构：CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(OS(=O)(=O)C(F)(F)F)cc2n1Cc1ccccn1

HCID86621607

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：CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(-c3ccn[nH]3)cc2n1Cc1ccccn1

HCID59762428

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e1ad92c5c6e493390904d6ca1b64baf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[BH:40]([OH:41])[OH:42].[C:50](=[O:51])([O-:52])[O-:53].[Cl-:48].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][cH:9][c:10]2[c:11]([C:26]([NH:27][CH2:28][c:29]3[cH:30][c:31]([F:36])[c:32]([F:35])[cH:33][cH:34]3)=[O:37])[c:12]([CH:23]([CH3:24])[CH3:25])[n:13]([CH2:16][c:17]3[n:18][cH:19][cH:20][cH:21][cH:22]3)[c:14]2[cH:15]1)(=[O:38])=[O:39].[Li+:49].[Na+:54].[Na+:55].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1.[nH:43]1[n:44][cH:45][cH:46][cH:47]1>>[c:7]1(-[c:45]2[nH:44][n:43][cH:47][cH:46]2)[cH:8][cH:9][c:10]2[c:11]([C:26]([NH:27][CH2:28][c:29]3[cH:30][c:31]([F:36])[c:32]([F:35])[cH:33][cH:34]3)=[O:37])[c:12]([CH:23]([CH3:24])[CH3:25])[n:13]([CH2:16][c:17]3[n:18][cH:19][cH:20][cH:21][cH:22]3)[c:14]2[cH:15]1