HRID949701

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

3 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID16414270

4,4,6-Trimethyl-2-(3,3,3-trifluoroprop-1-en-2-yl)-1,3,2-dioxaborinane

C9H14BF3O2

HCID86662092

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：C=C(c1nncc2cc(Nc3ccc(F)cc3)ccc12)C(F)(F)F

HCID66740077

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5434c259e967472686bc1f424f9be483
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:36](=[O:37])([O-:38])[O-:39].[CH3:20][C:21]1([CH3:22])[CH2:23][CH:24]([CH3:25])[O:26][B:27]([C:28]([C:29]([F:30])([F:31])[F:32])=[CH2:33])[O:34]1.[Cl:1][c:2]1[n:3][n:4][cH:5][c:6]2[cH:7][c:8]([NH:12][c:13]3[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]3)[cH:9][cH:10][c:11]12.[Na+:40].[Na+:41].[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1.[OH2:35].[OH2:42].[OH2:43].[cH:50]1[cH:51][cH:52][c:53]([P:54]([Pd:55]([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([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)([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([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)[P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([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)[cH:125][cH:126]1>>[c:2]1([C:28]([C:29]([F:30])([F:31])[F:32])=[CH2:33])[n:3][n:4][cH:5][c:6]2[cH:7][c:8]([NH:12][c:13]3[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]3)[cH:9][cH:10][c:11]12