HRID316843

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID21899178

1-Cyclohexyl-5-[(piperidin-1-yl)methyl]-1H-benzimidazol-2-amine

C19H28N4

HCID58317256

5-Bromo-3-iodo-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-indazole

C13H18BrIN2OSi

PRODUCTS

生成物

结构：C[Si](C)(C)CCOCn1nc(Nc2nc3cc(CN4CCCCC4)ccc3n2C2CCCCC2)c2cc(Br)ccc21

HCID67254403

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-816ff4f74a394bb8b373d73c60f637c8
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:24][c:25]1[cH:26][c:27]2[c:28]([I:42])[n:29][n:30]([CH2:34][O:35][CH2:36][CH2:37][Si:38]([CH3:39])([CH3:40])[CH3:41])[c:31]2[cH:32][cH:33]1.[CH2:51]1[O:52][CH2:53][CH2:54][O:55][CH2:56]1.[CH:1]1([n:7]2[c:8]([NH2:23])[n:9][c:10]3[c:11]2[cH:12][cH:13][c:14]([CH2:16][N:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:15]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[K+:48].[K+:49].[K+:50].[O:59]=[C:60]([CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[O:77]=[C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)[CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[O:95]=[C:96]([CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1)[CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1.[P:43]([O-:44])([O-:45])([O-:46])=[O:47].[Pd:57].[Pd:58]>>[CH:1]1([n:7]2[c:8]([NH:23][c:28]3[c:27]4[cH:26][c:25]([Br:24])[cH:33][cH:32][c:31]4[n:30]([CH2:34][O:35][CH2:36][CH2:37][Si:38]([CH3:39])([CH3:40])[CH3:41])[n:29]3)[n:9][c:10]3[c:11]2[cH:12][cH:13][c:14]([CH2:16][N:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:15]3)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1