HRID1557153

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID16414270

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

C9H14BF3O2

结构：COC(=O)c1ccc(C)c(-c2ccc3c(Cl)nncc3c2)c1

HCID77230175

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(-c3cc(C(=O)OC)ccc3C)ccc12)C(F)(F)F

HCID66675460

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-874c579f15d644e9a3bddf9a45d17b44
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:41](=[O:42])([O-:43])[O-:44].[CH2:38]([OH:39])[CH3:40].[CH3:127][O:128][CH2:129][CH2:130][O:131][CH3:132].[CH3:23][C:24]1([CH3:25])[CH2:26][CH:27]([CH3:28])[O:29][B:30]([C:31]([C:32]([F:33])([F:34])[F:35])=[CH2:36])[O:37]1.[Cl:1][c:2]1[n:3][n:4][cH:5][c:6]2[cH:7][c:8](-[c:12]3[cH:13][c:14]([C:15](=[O:16])[O:17][CH3:18])[cH:19][cH:20][c:21]3[CH3:22])[cH:9][cH:10][c:11]12.[Cl:47][CH2:48][Cl:49].[K+:45].[K+:46].[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:31]([C:32]([F:33])([F:34])[F:35])=[CH2:36])[n:3][n:4][cH:5][c:6]2[cH:7][c:8](-[c:12]3[cH:13][c:14]([C:15](=[O:16])[O:17][CH3:18])[cH:19][cH:20][c:21]3[CH3:22])[cH:9][cH:10][c:11]12