HRID1569073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID3861343

cyclopenten-1-ylboronic acid

C5H9BO2

结构：CCOC(=O)C1(NC(=O)c2cccc(C)c2I)Cc2ccccc2C1

HCID59314153

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)C1(NC(=O)c2cccc(C)c2C2=CCCC2)Cc2ccccc2C1

HCID59314146

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42ed53cb9f72437aa3813d6ab533168a
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:26]1([B:31]([OH:32])[OH:33])=[CH:27][CH2:28][CH2:29][CH2:30]1.[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([NH:15][C:16]([c:17]2[c:18]([I:24])[c:19]([CH3:23])[cH:20][cH:21][cH:22]2)=[O:25])[CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[CH2:14]1.[O:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1.[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([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)[cH:115][cH:116]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([NH:15][C:16]([c:17]2[c:18]([C:26]3=[CH:27][CH2:28][CH2:29][CH2:30]3)[c:19]([CH3:23])[cH:20][cH:21][cH:22]2)=[O:25])[CH2:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]2[CH2:14]1