HRID188400

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

HCID2734364

4-(Methylsulfonyl)phenylboronic acid

C7H9BO4S

结构：CCOC(=O)Cc1ccc(Oc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)c(Br)c1

HCID68464724

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)Cc1ccc(Oc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)c(-c2ccc(S(C)(=O)=O)cc2)c1

HCID68467112

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4781615a052c4b6f966db761bb1dfca3
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

[CH3:39][S:40](=[O:41])(=[O:42])[c:43]1[cH:44][cH:45][c:46]([B:49]([OH:50])[OH:51])[cH:47][cH:48]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][NH:8][C:9](=[O:10])[c:11]2[cH:12][cH:13][c:14]([O:15][c:16]3[c:17]([Br:28])[cH:18][c:19]([CH2:22][C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:20][cH:21]3)[cH:29][cH:30]2)[cH:31][cH:32]1.[K+:33].[K+:34].[O-:35][C:36]([O-:37])=[O:38].[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1.[cH:58]1[cH:59][cH:60][c:61]([P:62]([Pd:63]([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[P:102]([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)([c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[cH:133][cH:134]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][NH:8][C:9](=[O:10])[c:11]2[cH:12][cH:13][c:14]([O:15][c:16]3[c:17](-[c:46]4[cH:45][cH:44][c:43]([S:40]([CH3:39])(=[O:41])=[O:42])[cH:48][cH:47]4)[cH:18][c:19]([CH2:22][C:23](=[O:24])[O:25][CH2:26][CH3:27])[cH:20][cH:21]3)[cH:29][cH:30]2)[cH:31][cH:32]1