HRID678992

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID66827

Boronic acid, phenyl-

C6H7BO2

结构：CC(C)(C)OC(=O)N1CCN(c2cccc3c2cc(I)n3S(=O)(=O)c2ccccc2)CC1

HCID22015330

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：CC(C)(C)OC(=O)N1CCN(c2cccc3c2cc(-c2ccccc2)n3S(=O)(=O)c2ccccc2)CC1

HCID22015379

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-09f204ab8c8647dd9b31d92ec41b93de
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:48]([CH2:49][O:50][CH3:51])[O:52][CH3:53].[I:1][c:2]1[n:3]([S:24](=[O:25])(=[O:26])[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:4]2[cH:5][cH:6][cH:7][c:8]([N:11]3[CH2:12][CH2:13][N:14]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16]3)[c:9]2[cH:10]1.[K+:42].[K+:43].[O-:44][C:45]([O-:46])=[O:47].[c:33]1([B:39]([OH:40])[OH:41])[cH:34][cH:35][cH:36][cH:37][cH:38]1.[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130]1>>[c:2]1(-[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[n:3]([S:24](=[O:25])(=[O:26])[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:4]2[cH:5][cH:6][cH:7][c:8]([N:11]3[CH2:12][CH2:13][N:14]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:15][CH2:16]3)[c:9]2[cH:10]1