HRID1225219

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8082

Piperidine

C5H11N

HCID12269

Benzene, 1-chloro-3-iodo-

C6H4ClI

HCID24350

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

CuI

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

结构：C#Cc1cccc(-c2[nH]nc(C(=O)N3CCC(N(CC)CC)C3)c2C)c1

HCID178436202

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C1CCN(C(=O)c2n[nH]c(-c3cccc(C#Cc4cccc(Cl)c4)c3)c2C)C1

HCID178463852

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b7bfee097b84b488fa7391b85a8fc57
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:35]1[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1.[CH2:9]([CH3:10])[N:11]([CH:12]1[CH2:13][N:14]([C:17](=[O:18])[c:19]2[n:20][nH:21][c:22](-[c:25]3[cH:26][c:27]([C:31]#[CH:32])[cH:28][cH:29][cH:30]3)[c:23]2[CH3:24])[CH2:15][CH2:16]1)[CH2:33][CH3:34].[Cl:1][c:2]1[cH:3][c:4]([I:8])[cH:5][cH:6][cH:7]1.[Cu:118][I:119].[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([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)([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([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)[P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([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)[cH:116][cH:117]1>>[Cl:1][c:2]1[cH:3][c:4]([C:32]#[C:31][c:27]2[cH:26][c:25](-[c:22]3[nH:21][n:20][c:19]([C:17]([N:14]4[CH2:13][CH:12]([N:11]([CH2:9][CH3:10])[CH2:33][CH3:34])[CH2:16][CH2:15]4)=[O:18])[c:23]3[CH3:24])[cH:30][cH:29][cH:28]2)[cH:5][cH:6][cH:7]1