HRID1551988

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

HCID28179

Fluoride

F-

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

HCID11196667

未命名化合物

结构：COc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(Br)c1)=NC(C)(C)C2

HCID22343796

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：COc1cc2c(c3c1OC(C)(C)C3)C(c1cccc(-c3ccc4ccccc4n3)c1)=NC(C)(C)C2

HCID22344393

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2fe856308e3e448285ee0f04d105c9ff
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

[Br:1][c:2]1[cH:3][c:4]([C:8]2=[N:9][C:10]([CH3:25])([CH3:26])[CH2:11][c:12]3[cH:13][c:14]([O:23][CH3:24])[c:15]4[c:16]([c:17]32)[CH2:18][C:19]([CH3:21])([CH3:22])[O:20]4)[cH:5][cH:6][cH:7]1.[CH2:49]1[O:50][CH2:51][CH2:52][O:53][CH2:54]1.[Cl-:46].[F-:47].[F:27][C:28]([F:29])([F:30])[S:31]([O:32][c:33]1[n:34][c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]2[cH:41][cH:42]1)(=[O:43])=[O:44].[K+:48].[Li+:45].[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[c:2]1(-[c:33]2[n:34][c:35]3[cH:36][cH:37][cH:38][cH:39][c:40]3[cH:41][cH:42]2)[cH:3][c:4]([C:8]2=[N:9][C:10]([CH3:25])([CH3:26])[CH2:11][c:12]3[cH:13][c:14]([O:23][CH3:24])[c:15]4[c:16]([c:17]32)[CH2:18][C:19]([CH3:21])([CH3:22])[O:20]4)[cH:5][cH:6][cH:7]1