HRID1213044

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID24290

未命名化合物

HCID30165

Iodide ion

I-

HCID81643

2-Propyn-1-amine, N,N-dimethyl-

C5H9N

HCID57516846

未命名化合物

PRODUCTS

生成物

结构：CN(C)CC#Cc1cc(N2C3CCC2CC3)ccc1[N+](=O)[O-]

HCID58478633

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3201e70a2e424926863b4760723968ec
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[cH:3][c:4]([N:11]2[CH:12]3[CH2:13][CH2:14][CH:15]2[CH2:16][CH2:17]3)[cH:5][cH:6][c:7]1[N+:8](=[O:9])[O-:10].[CH3:19][N:20]([CH2:21][C:22]#[CH:23])[CH3:24].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[I-:18].[O:25]=[CH:26][N:27]([CH3:28])[CH3:29].[Pd:43]([Cl:44])[Cl:45].[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1.[c:65]1([P:66]([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)[cH:79][cH:80][cH:81][cH:82][cH:83]1>>[c:2]1([C:23]#[C:22][CH2:21][N:20]([CH3:19])[CH3:24])[cH:3][c:4]([N:11]2[CH:12]3[CH2:13][CH2:14][CH:15]2[CH2:16][CH2:17]3)[cH:5][cH:6][c:7]1[N+:8](=[O:9])[O-:10]