HRID664799

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID138823

Cyclopropylacetylene

C5H6

HCID4594378

bis(cyclohexylmethyl)amine

C14H27N

结构：CSc1cccc(C(=NOCc2csc(Br)n2)c2nnnn2C)c1

HCID86653147

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：CSc1cccc(C(=NOCc2csc(C#CC3CC3)n2)c2nnnn2C)c1

HCID86653148

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8813943a64e4ae29f3ca909eaee6cdc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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[n:12][n:13][n:14][n:15]2[CH3:16])[c:17]2[cH:18][c:19]([S:23][CH3:24])[cH:20][cH:21][cH:22]2)[n:6]1.[CH:25]1([C:28]#[CH:29])[CH2:26][CH2:27]1.[CH:30]1([CH2:31][NH:32][CH2:33][CH:34]2[CH2:35][CH2:36][CH2:37][CH2:38][CH2:39]2)[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]1.[Cu:50][I:51].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[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: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[n:12][n:13][n:14][n:15]2[CH3:16])[c:17]2[cH:18][c:19]([S:23][CH3:24])[cH:20][cH:21][cH:22]2)[n:6]1