HRID113673

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID78240

2-Bromo-5-nitropyridine

C5H3BrN2O2

结构：CC1(C)C=C(B2OC(C)(C)C(C)(C)O2)CC(C)(C)O1

HCID46738000

2,2,6,6-Tetramethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyran

C15H27BO3

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：CC1(C)C=C(c2ccc([N+](=O)[O-])cn2)CC(C)(C)O1

HCID57666515

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-339065489938488193626a261d9d8f56
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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