HRID163995

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID8471

Triethylamine

C6H15N

HCID83717

Copper iodide (CuI2)

CuI2

结构：COc1cc(Nc2c(C#N)cnc3sc(I)cc23)c(Cl)cc1Cl

HCID10254383

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)cnc3sc(C#CCN4CCN(C)CC4)cc23)c(Cl)cc1Cl

HCID10096899

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b82f33521ed348d08d5d05da9dfca3b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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.[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[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])[s:20][c:21]([I:23])[cH:22]3)[cH:4][c:5]([O:9][CH3:10])[c:6]([Cl:8])[cH:7]1.[Cu:124]([I:125])[I:126].[cH:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]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])[s: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)[cH:22]3)[cH:4][c:5]([O:9][CH3:10])[c:6]([Cl:8])[cH:7]1