HRID176602

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2734326

4-Cyanophenylboronic acid

C7H6BNO2

结构：CCOC(=O)CN(Cc1ccc(OC)cc1OC)Cc1nc(Br)sc1C(=O)OCC

HCID68426454

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：CCOC(=O)CN(Cc1ccc(OC)cc1OC)Cc1nc(-c2ccc(C#N)cc2)sc1C(=O)OCC

HCID68426545

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c769579848f412584d5d55c89b5dfa3
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

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