HRID309616

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8071

未命名化合物

HCID16028

Tetrabutylammonium

C16H36N+

HCID271280

4-bromo-5-nitroisoquinoline

C9H5BrN2O2

结构：COCOc1c(B2OC(C)(C)C(C)(C)O2)ccc(OC)c1OC

HCID22380772

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：COCOc1c(-c2cncc3cccc([N+](=O)[O-])c23)ccc(OC)c1OC

HCID12971919

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ff0baffd0444ee491197e330228b71d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br-:46].[Br:1][c:2]1[cH:3][n:4][cH:5][c:6]2[cH:7][cH:8][cH:9][c:10]([N+:12](=[O:13])[O-:14])[c:11]12.[CH2:40]([CH2:41][O:42][CH3:43])[O:44][CH3:45].[CH3:15][O:16][c:17]1[c:18]([O:34][CH2:35][O:36][CH3:37])[c:19]([B:25]2[O:26][C:27]([CH3:28])([CH3:29])[C:30]([CH3:31])([CH3:32])[O:33]2)[cH:20][cH:21][c:22]1[O:23][CH3:24].[CH3:47][CH2:48][CH2:49][CH2:50][N+:51]([CH2:52][CH2:53][CH2:54][CH3:55])([CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH2:61][CH2:62][CH3:63].[K+:39].[OH-:38].[OH2:64].[cH:65]1[cH:66][cH:67][c:68]([P:69]([Pd:70]([P:71]([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)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([P:90]([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)[P:109]([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)([c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[c:134]2[cH:135][cH:136][cH:137][cH:138][cH:139]2)[cH:140][cH:141]1>>[c:2]1(-[c:19]2[c:18]([O:34][CH2:35][O:36][CH3:37])[c:17]([O:16][CH3:15])[c:22]([O:23][CH3:24])[cH:21][cH:20]2)[cH:3][n:4][cH:5][c:6]2[cH:7][cH:8][cH:9][c:10]([N+:12](=[O:13])[O-:14])[c:11]12