HRID1150188

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

HCID83717

Copper iodide (CuI2)

CuI2

HCID138823

Cyclopropylacetylene

C5H6

HCID86653111

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：Cc1nnnn1C(=NOCc1csc(C#CC2CC2)n1)c1ccccc1

HCID86653118

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7966b8ffffb49a59e2d0c5e6269cd3b
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]=[C:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[n:17]2[n:18][n:19][n:20][c:21]2[CH3:22])[n:6]1.[CH2:37]1[O:38][CH2:39][CH2:40][CH2:41]1.[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[CH:25]1([C:28]#[CH:29])[CH2:26][CH2:27]1.[Cu:48]([I:49])[I:50].[N:23]#[N:24].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[c:2]1([C:29]#[C:28][CH:25]2[CH2:26][CH2:27]2)[s:3][cH:4][c:5]([CH2:7][O:8][N:9]=[C:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[n:17]2[n:18][n:19][n:20][c:21]2[CH3:22])[n:6]1