HRID801474

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID24350

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

CuI

结构：COc1cc(Nc2c(C#N)cnc3cc(I)sc23)c(Cl)cc1Cl

HCID10390208

未命名化合物

HCID13514091

1-Methyl-4-(prop-2-yn-1-yl)piperazine

C8H14N2

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：COc1cc(Nc2c(C#N)cnc3cc(C#CCN4CCN(C)CC4)sc23)c(Cl)cc1Cl

HCID5330422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8d46352a3c04a07bf8d4dd80884a00c
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:24][N:25]1[CH2:26][CH2:27][N:28]([CH2:31][C:32]#[CH:33])[CH2:29][CH2:30]1.[CH3:34][OH:35].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[Cl:1][c:2]1[c:3]([NH:11][c:12]2[c:13]3[c:14]([n:15][cH:16][c:17]2[C:18]#[N:19])[cH:20][c:21]([I:23])[s:22]3)[cH:4][c:5]([O:9][CH3:10])[c:6]([Cl:8])[cH:7]1.[Cl:36][CH2:37][Cl:38].[Cu:129][I:130].[cH:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]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>>[Cl:1][c:2]1[c:3]([NH:11][c:12]2[c:13]3[c:14]([n:15][cH:16][c:17]2[C:18]#[N:19])[cH:20][c:21]([C:33]#[C:32][CH2:31][N:28]2[CH2:27][CH2:26][N:25]([CH3:24])[CH2:30][CH2:29]2)[s:22]3)[cH:4][c:5]([O:9][CH3:10])[c:6]([Cl:8])[cH:7]1