HRID2139699

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

结构：COC(=O)C(C)c1cc(F)c(OS(=O)(=O)C(F)(F)F)c(F)c1

HCID59627637

未命名化合物

HCID59627741

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：COC(=O)C(C)c1cc(F)c(-c2ccc(-c3nc(C(N)=O)c(C)nc3C)cc2)c(F)c1

HCID59627653

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b111b1b0e10b44efa0845bba02e35a5e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([NH2:2])(=[O:3])[c:4]1[c:5]([CH3:20])[n:6][c:7]([CH3:19])[c:8](-[c:10]2[cH:11][cH:12][c:13]([B:16]([OH:17])[OH:18])[cH:14][cH:15]2)[n:9]1.[CH3:51][O:52][CH2:53][CH2:54][O:55][CH3:56].[Cl-:50].[F:21][c:22]1[cH:23][c:24]([CH:37]([C:38](=[O:39])[O:40][CH3:41])[CH3:42])[cH:25][c:26]([F:36])[c:27]1[O:28][S:29]([C:30]([F:31])([F:32])[F:33])(=[O:34])=[O:35].[Li+:49].[Na+:43].[Na+:44].[O-:45][C:46](=[O:47])[O-:48].[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:1]([NH2:2])(=[O:3])[c:4]1[c:5]([CH3:20])[n:6][c:7]([CH3:19])[c:8](-[c:10]2[cH:11][cH:12][c:13](-[c:27]3[c:22]([F:21])[cH:23][c:24]([CH:37]([C:38](=[O:39])[O:40][CH3:41])[CH3:42])[cH:25][c:26]3[F:36])[cH:14][cH:15]2)[n:9]1