HRID304059

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID2734346

3,5-Dimethylisoxazole-4-boronic acid

C5H8BNO3

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：Cc1noc(C)c1-c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1

HCID59762407

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4519d0a78e6f4736a471e9d99f4e8b3e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:52](=[O:53])([O-:54])[O-:55].[CH3:40][c:41]1[n:42][o:43][c:44]([CH3:49])[c:45]1[B:46]([OH:47])[OH:48].[Cl-:50].[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+:51].[Na+:56].[Na+:57].[cH:58]1[cH:59][cH:60][c:61]([P:62]([Pd:63]([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)[P:102]([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)([c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[cH:133][cH:134]1>>[c:7]1(-[c:45]2[c:41]([CH3:40])[n:42][o:43][c:44]2[CH3:49])[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