HRID1535654

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

3 次

HCID16449

3-Bromobiphenyl

C12H9Br

HCID23938

Palladium

HCID30165

Iodide ion

I-

HCID86610208

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)N1CCN(C(C)(C)C#Cc2cccc(-c3ccccc3)c2)CC1

HCID67305759

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc4d2124f291494e8bc4a8060dd54f91
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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