HRID167772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2774014

4,4,5,5-Tetramethyl-2-(2-phenylethenyl)-1,3,2-dioxaborolane

C14H19BO2

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

结构：COC(=O)C1CCC(c2ccc(Br)cc2)N1C(=O)OC(C)(C)C

HCID178497464

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CCC(c2ccc(C=Cc3ccccc3)cc2)N1C(=O)OC(C)(C)C

HCID178497468

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af7c942c690c42d39d4020548aeb57ae
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:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH2:9][CH2:10][CH:11]([C:20](=[O:21])[O:22][CH3:23])[N:12]2[C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:6][cH:7]1.[CH3:30][C:31]1([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36][B:37]([CH:38]=[CH:39][c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[O:46]1.[Na+:24].[Na+:25].[O-:26][C:27](=[O:28])[O-:29].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[OH2:130].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([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)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([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)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[c:2]1([CH:38]=[CH:39][c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:3][cH:4][c:5]([CH:8]2[CH2:9][CH2:10][CH:11]([C:20](=[O:21])[O:22][CH3:23])[N:12]2[C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:6][cH:7]1