HRID140098

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2734427

5-BROMO-2-CHLORO-4-METHYLPYRIDINE

C6H5BrClN

结构：COC(=O)COc1ccccc1N(C)C(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1

HCID68601770

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：COC(=O)COc1ccccc1N(C)C(=O)c1ccc(Cl)c(-c2cnc(Cl)cc2C)c1

HCID59370345

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a30dd5ec27034f8faf35c72056433ad9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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