HRID284895

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID887

Methanol

CH4O

HCID8471

Triethylamine

C6H15N

HCID24350

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

CuI

HCID251020

4-Ethynylanisole

C9H8O

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

HCID10390208

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：COc1ccc(C#Cc2cc3ncc(C#N)c(Nc4cc(OC)c(Cl)cc4Cl)c3s2)cc1

HCID22256635

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccd73cbeebd24c49b382ff91d14d4798
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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