HRID1208121

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8855

Butyryl chloride

C4H7ClO

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID32051

Zinc (II) cation

Zn+2

HCID11232898

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCCC(=O)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2

HCID59811525

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d27706120034922962e286e83ca2bdf
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

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