HRID1113971

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID12732

1-Hexyne

C6H10

HCID23938

Palladium

HCID83717

Copper iodide (CuI2)

CuI2

HCID67424293

未命名化合物

PRODUCTS

生成物

结构：CCCCC#Cc1nc(CON2C(=O)c3ccccc3C2=O)cs1

HCID67426046

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe17a25819f142a6a35b416e508abf78
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[s:3][cH:4][c:5]([CH2:7][O:8][N:9]2[C:10](=[O:19])[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]3[C:17]2=[O:18])[n:6]1.[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH:20]#[C:21][CH2:22][CH2:23][CH2:24][CH3:25].[Cu:115]([I:116])[I:117].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1.[Pd:114].[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:57]1([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72][cH:73][cH:74][cH:75]1.[c:76]1([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[cH:90][cH:91][cH:92][cH:93][cH:94]1.[c:95]1([P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[cH:109][cH:110][cH:111][cH:112][cH:113]1>>[c:2]1([C:20]#[C:21][CH2:22][CH2:23][CH2:24][CH3:25])[s:3][cH:4][c:5]([CH2:7][O:8][N:9]2[C:10](=[O:19])[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]3[C:17]2=[O:18])[n:6]1