HRID1218069

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID947

Nitrogen

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID12309

1-Pentyne

C5H8

HCID83717

Copper iodide (CuI2)

CuI2

HCID86653110

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CCCC#Cc1nc(CON=C(c2ccccc2)c2nnnn2C)c(C)s1

HCID86653117

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6865db084bf042c8a16190658606ebaf
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[s:3][c:4]([CH3:23])[c:5]([CH2:7][O:8][N:9]=[C:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:17]2[n:18][n:19][n:20][n:21]2[CH3:22])[n:6]1.[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[CH:26]#[C:27][CH2:28][CH2:29][CH3:30].[Cu:49]([I:50])[I:51].[N:24]#[N:25].[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([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)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([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)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[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)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[c:2]1([C:26]#[C:27][CH2:28][CH2:29][CH3:30])[s:3][c:4]([CH3:23])[c:5]([CH2:7][O:8][N:9]=[C:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:17]2[n:18][n:19][n:20][n:21]2[CH3:22])[n:6]1