HRID145316

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID947

Nitrogen

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID57826906

未命名化合物

结构：CC(C)(C)OC(=O)NC1CCC(Nc2ncc3c(-c4cccc(Br)n4)nn(COCC[Si](C)(C)C)c3n2)CC1

HCID86667966

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCC(Nc1cccc(-c2nn(COCC[Si](C)(C)C)c3nc(NC4CCC(NC(=O)OC(C)(C)C)CC4)ncc23)n1)c1ccccc1

HCID68108456

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d95e2efe3fc2407ea1c50f8ec57ae87f
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[n:16][cH:17][c:18]3[c:19]([n:20]2)[n:21]([CH2:31][O:32][CH2:33][CH2:34][Si:35]([CH3:36])([CH3:37])[CH3:38])[n:22][c:23]3-[c:24]2[n:25][c:26]([Br:30])[cH:27][cH:28][cH:29]2)[CH2:12][CH2:13]1)=[O:39].[C:40]([CH3:41])([CH3:42])([CH3:43])[O:44][C:45]([NH:46][CH2:47][CH2:48][CH:49]([c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[NH2:56])=[O:57].[CH2:122]1[O:123][CH2:124][CH2:125][O:126][CH2:127]1.[K+:58].[K+:59].[N:64]#[N:65].[O-:60][C:61]([O-:62])=[O:63].[O:104]=[C:105]([CH:106]=[CH:107][c:108]1[cH:109][cH:110][cH:111][cH:112][cH:113]1)[CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1.[O:68]=[C:69]([CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1)[CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[O:86]=[C:87]([CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1)[CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1.[Pd:66].[Pd:67]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[n:16][cH:17][c:18]3[c:19]([n:20]2)[n:21]([CH2:31][O:32][CH2:33][CH2:34][Si:35]([CH3:36])([CH3:37])[CH3:38])[n:22][c:23]3-[c:24]2[n:25][c:26]([NH:56][CH:49]([CH2:48][CH2:47][NH:46][C:45]([O:44][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:57])[c:50]3[cH:51][cH:52][cH:53][cH:54][cH:55]3)[cH:27][cH:28][cH:29]2)[CH2:12][CH2:13]1)=[O:39]