HRID2325732

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+

HCID23142013

2-(4,4-Dimethylcyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H25BO2

HCID57666447

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：CC1(C)CC=C(c2nc(C3CC(C)(C)OC(C)(C)C3)ccc2N)CC1

HCID57666539

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-624624de9e724b30ae9ce86972646221
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[n:3][c:4]([CH:9]2[CH2:10][C:11]([CH3:17])([CH3:18])[O:12][C:13]([CH3:15])([CH3:16])[CH2:14]2)[cH:5][cH:6][c:7]1[NH2:8].[C:19](=[O:20])([O-:21])[O-:22].[CH3:27][C:28]1([CH3:43])[CH2:29][CH:30]=[C:31]([B:34]2[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]2)[CH2:32][CH2:33]1.[CH3:44][O:45][CH2:46][CH2:47][O:48][CH3:49].[Cl-:25].[Li+:26].[Na+:23].[Na+:24].[cH:50]1[cH:51][cH:52][c:53]([P:54]([Pd:55]([P:56]([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)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([P:75]([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)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[P:94]([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)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[cH:125][cH:126]1>>[c:2]1([C:31]2=[CH:30][CH2:29][C:28]([CH3:27])([CH3:43])[CH2:33][CH2:32]2)[n:3][c:4]([CH:9]2[CH2:10][C:11]([CH3:17])([CH3:18])[O:12][C:13]([CH3:15])([CH3:16])[CH2:14]2)[cH:5][cH:6][c:7]1[NH2:8]