HRID187165

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：CC1(C)OB(c2ccc3[nH]c(=O)[nH]c3c2)OC1(C)C

HCID43811065

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydro-2H-benzimidazol-2-one

C13H17BN2O3

HCID67334734

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：O=c1[nH]c2ccc(C=C3c4ccc(F)cc4OCc4c(F)cccc43)cc2[nH]1

HCID68889701

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-afc303b9de4349d3ae1413e8102ab886
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

[Br:1][CH:2]=[C:3]1[c:4]2[c:5]([cH:15][c:16]([F:19])[cH:17][cH:18]2)[O:6][CH2:7][c:8]2[c:9]1[cH:10][cH:11][cH:12][c:13]2[F:14].[C:39](=[O:40])([O-:41])[O-:42].[CH3:128][C:129](=[O:130])[CH3:131].[CH3:20][C:21]1([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26][B:27]([c:28]2[cH:29][c:30]3[c:31]([nH:32][c:33](=[O:35])[nH:34]3)[cH:36][cH:37]2)[O:38]1.[Na+:43].[Na+:44].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[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>>[CH:2](=[C:3]1[c:4]2[c:5]([cH:15][c:16]([F:19])[cH:17][cH:18]2)[O:6][CH2:7][c:8]2[c:9]1[cH:10][cH:11][cH:12][c:13]2[F:14])[c:28]1[cH:29][c:30]2[c:31]([nH:32][c:33](=[O:35])[nH:34]2)[cH:36][cH:37]1