HRID1202462

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID23938

Palladium

2 次

HCID28179

Fluoride

F-

HCID31275

1,4-Dioxane

C4H8O2

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

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

C17H14O

3 次

HCID16068823

未命名化合物

HCID21980034

2,6-Dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C13H20BNO2

PRODUCTS

生成物

结构：Cc1ccc(-c2ccc3sc(C4CC(N5CCCC5C)C4)nc3c2)c(C)n1

HCID67146322

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-104a0d9bf6ab40a6847e0c503b4029bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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