HRID1554203

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+

HCID11182610

(1-Methyl-1H-pyrazol-5-yl)boronic acid

C4H7BN2O2

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(-c3ccnn3C)cc2n1Cc1ccccn1

HCID59762320

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f312e1913b34ac28dc58b7462a0b7bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:51](=[O:52])([O-:53])[O-:54].[CH3:40][n:41]1[n:42][cH:43][cH:44][c:45]1[B:46]([OH:47])[OH:48].[Cl-:49].[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+:50].[Na+:55].[Na+:56].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([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)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([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)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([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)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1>>[c:7]1(-[c:45]2[n:41]([CH3:40])[n:42][cH:43][cH:44]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